 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer06_STD_M11_def2SVPD.in
 Output=21_phenylethanol_conformer06_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-32570.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32587.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer06_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer06_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.162345000000     -1.239247000000      0.453644000000
  C                                                 1.655725000000     -0.158939000000     -0.341230000000
  H                                                 1.881072000000     -1.094176000000      1.365099000000
  H                                                 1.854813000000     -0.482019000000     -1.367262000000
  C                                                 2.446699000000      1.114652000000     -0.080136000000
  C                                                 0.150796000000     -0.029950000000     -0.174166000000
  H                                                 2.272946000000      1.486730000000      0.932505000000
  H                                                 2.181966000000      1.904257000000     -0.785239000000
  H                                                 3.509095000000      0.900115000000     -0.189137000000
  C                                                -0.489673000000      1.190819000000      0.026062000000
  C                                                -1.872964000000      1.254695000000      0.167928000000
  C                                                -2.635845000000      0.097346000000      0.110092000000
  C                                                -2.007097000000     -1.127866000000     -0.090783000000
  C                                                -0.628986000000     -1.188612000000     -0.232307000000
  H                                                 0.084690000000      2.105244000000      0.074595000000
  H                                                -2.351327000000      2.213069000000      0.325179000000
  H                                                -3.711408000000      0.146804000000      0.220623000000
  H                                                -2.593574000000     -2.036616000000     -0.139348000000
  H                                                -0.138964000000     -2.142300000000     -0.378921000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114652   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900115   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097346    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213069    0.325179
     17          1           0       -3.711408    0.146804    0.220623
     18          1           0       -2.593574   -2.036616   -0.139348
     19          1           0       -0.138964   -2.142300   -0.378921
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.433720   0.000000
     3  H    0.964837   1.958828   0.000000
     4  H    1.995913   1.093965   2.800218   0.000000
     5  C    2.430354   1.521790   2.699548   2.134568   0.000000
     6  C    2.429583   1.519658   2.548680   2.128736   2.567124
     7  H    2.769926   2.170620   2.646087   3.056098   1.092737
     8  H    3.378881   2.175052   3.702039   2.477921   1.091206
     9  H    2.608404   2.140025   3.007209   2.456608   1.089308
    10  C    3.622326   2.561149   3.554526   3.199430   2.939279
    11  C    4.752378   3.835264   4.587287   4.389682   4.329046
    12  C    4.992708   4.322840   4.837076   4.762798   5.186844
    13  C    4.206311   3.797079   4.151938   4.118357   4.986512
    14  C    2.874825   2.508385   2.976746   2.820754   3.845519
    15  H    3.955496   2.787039   3.889560   3.450539   2.565989
    16  H    5.684032   4.703933   5.471061   5.274417   4.938811
    17  H    6.039570   5.405116   5.841720   5.822337   6.240951
    18  H    4.858621   4.650050   4.813939   4.869568   5.944607
    19  H    2.608581   2.675079   2.867179   2.776418   4.169252
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.833471   0.000000
     8  H    2.870578   1.770099   0.000000
     9  H    3.484741   1.769255   1.767742   0.000000
    10  C    1.393043   2.922544   2.881815   4.015092   0.000000
    11  C    2.421352   4.222202   4.215794   5.405532   1.392013
    12  C    2.803993   5.167493   5.222820   6.204375   2.410145
    13  C    2.422576   5.118789   5.217690   5.877989   2.773541
    14  C    1.397833   4.115270   4.215806   4.635554   2.397468
    15  H    2.150652   2.430439   2.275583   3.639841   1.080935
    16  H    3.397219   4.720203   4.677514   6.027679   2.144813
    17  H    3.886350   6.173708   6.231553   7.271248   3.392256
    18  H    3.399925   6.102938   6.225226   6.772698   3.856176
    19  H    2.141940   4.550495   4.682567   4.754013   3.375898
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387368   0.000000
    13  C    2.400317   1.391697   0.000000
    14  C    2.770815   2.407988   1.386690   0.000000
    15  H    2.136482   3.381453   3.854338   3.384230   0.000000
    16  H    1.082608   2.145576   3.384282   3.853399   2.451244
    17  H    2.147109   1.082358   2.150915   3.389662   4.274011
    18  H    3.383257   2.148907   1.082654   2.141812   4.936990
    19  H    3.852970   3.389626   2.145232   1.082191   4.277538
                   16         17         18         19
    16  H    0.000000
    17  H    2.475925   0.000000
    18  H    4.281856   2.479204   0.000000
    19  H    4.935539   4.285068   2.468537   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.54D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114653   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900116   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097345    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213068    0.325179
     17          1           0       -3.711408    0.146803    0.220623
     18          1           0       -2.593574   -2.036617   -0.139348
     19          1           0       -0.138963   -2.142300   -0.378921
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4591964           1.1778731           0.9168715
 Leave Link  202 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2302688959 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               5.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.20D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:44:01 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer06_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:44:01 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.566140272236    
 DIIS: error= 5.29D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.566140272236     IErMin= 1 ErrMin= 5.29D-03
 ErrMax= 5.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-02 BMatP= 1.41D-02
 IDIUse=3 WtCom= 9.47D-01 WtEn= 5.29D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.402 Goal=   None    Shift=    0.000
 GapD=    0.402 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.48D-02 MaxDP=5.16D-01              OVMax= 1.99D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.16D-02    CP:  1.28D+00
 E= -385.581518974946     Delta-E=       -0.015378702709 Rises=F Damp=F
 DIIS: error= 8.46D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.581518974946     IErMin= 2 ErrMin= 8.46D-04
 ErrMax= 8.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.18D-04 BMatP= 1.41D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.46D-03
 Coeff-Com: -0.410D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.407D-01 0.104D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=3.37D-03 MaxDP=1.41D-01 DE=-1.54D-02 OVMax= 8.16D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.38D-03    CP:  1.36D+00  1.15D+00
 E= -385.582040936970     Delta-E=       -0.000521962024 Rises=F Damp=F
 DIIS: error= 8.47D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.582040936970     IErMin= 2 ErrMin= 8.46D-04
 ErrMax= 8.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.09D-04 BMatP= 6.18D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.47D-03
 Coeff-Com: -0.675D-01 0.515D+00 0.553D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.669D-01 0.510D+00 0.557D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=3.63D-04 MaxDP=1.73D-02 DE=-5.22D-04 OVMax= 4.18D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.55D-04    CP:  1.37D+00  1.17D+00  1.08D+00
 E= -385.582388230369     Delta-E=       -0.000347293399 Rises=F Damp=F
 DIIS: error= 1.04D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.582388230369     IErMin= 4 ErrMin= 1.04D-04
 ErrMax= 1.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.58D-06 BMatP= 5.09D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.04D-03
 Coeff-Com: -0.416D-02-0.358D-01 0.604D-01 0.980D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.416D-02-0.358D-01 0.603D-01 0.980D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=3.01D-03 DE=-3.47D-04 OVMax= 1.15D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.00D-04    CP:  1.37D+00  1.17D+00  1.09D+00  1.14D+00
 E= -385.582400375141     Delta-E=       -0.000012144772 Rises=F Damp=F
 DIIS: error= 3.23D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.582400375141     IErMin= 5 ErrMin= 3.23D-05
 ErrMax= 3.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-06 BMatP= 8.58D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.327D-02-0.407D-01-0.250D-01 0.256D+00 0.806D+00
 Coeff:      0.327D-02-0.407D-01-0.250D-01 0.256D+00 0.806D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.08D-05 MaxDP=1.40D-03 DE=-1.21D-05 OVMax= 3.80D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.34D-05    CP:  1.37D+00  1.17D+00  1.10D+00  1.19D+00  1.08D+00
 E= -385.582401714906     Delta-E=       -0.000001339765 Rises=F Damp=F
 DIIS: error= 1.21D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.582401714906     IErMin= 6 ErrMin= 1.21D-05
 ErrMax= 1.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-07 BMatP= 1.01D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-02-0.964D-02-0.141D-01-0.589D-02 0.256D+00 0.773D+00
 Coeff:      0.132D-02-0.964D-02-0.141D-01-0.589D-02 0.256D+00 0.773D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=9.80D-06 MaxDP=2.02D-04 DE=-1.34D-06 OVMax= 1.43D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.28D-06    CP:  1.37D+00  1.17D+00  1.10D+00  1.19D+00  1.14D+00
                    CP:  9.26D-01
 E= -385.582401903580     Delta-E=       -0.000000188674 Rises=F Damp=F
 DIIS: error= 4.87D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.582401903580     IErMin= 7 ErrMin= 4.87D-06
 ErrMax= 4.87D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-08 BMatP= 1.31D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.427D-04 0.175D-02-0.147D-02-0.321D-01-0.294D-01 0.209D+00
 Coeff-Com:  0.852D+00
 Coeff:      0.427D-04 0.175D-02-0.147D-02-0.321D-01-0.294D-01 0.209D+00
 Coeff:      0.852D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.60D-06 MaxDP=9.18D-05 DE=-1.89D-07 OVMax= 7.18D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.22D-06    CP:  1.37D+00  1.17D+00  1.10D+00  1.19D+00  1.15D+00
                    CP:  9.93D-01  1.04D+00
 E= -385.582401929653     Delta-E=       -0.000000026072 Rises=F Damp=F
 DIIS: error= 1.64D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.582401929653     IErMin= 8 ErrMin= 1.64D-06
 ErrMax= 1.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-09 BMatP= 1.51D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-03 0.212D-02 0.156D-02-0.109D-01-0.474D-01-0.364D-01
 Coeff-Com:  0.296D+00 0.796D+00
 Coeff:     -0.179D-03 0.212D-02 0.156D-02-0.109D-01-0.474D-01-0.364D-01
 Coeff:      0.296D+00 0.796D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.55D-06 MaxDP=3.65D-05 DE=-2.61D-08 OVMax= 2.53D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.26D-07    CP:  1.37D+00  1.17D+00  1.10D+00  1.19D+00  1.15D+00
                    CP:  9.98D-01  1.13D+00  1.14D+00
 E= -385.582401933073     Delta-E=       -0.000000003420 Rises=F Damp=F
 DIIS: error= 3.51D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.582401933073     IErMin= 9 ErrMin= 3.51D-07
 ErrMax= 3.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.63D-11 BMatP= 2.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.259D-04 0.180D-03 0.287D-03 0.439D-03-0.428D-02-0.176D-01
 Coeff-Com: -0.130D-01 0.101D+00 0.933D+00
 Coeff:     -0.259D-04 0.180D-03 0.287D-03 0.439D-03-0.428D-02-0.176D-01
 Coeff:     -0.130D-01 0.101D+00 0.933D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=6.58D-07 MaxDP=1.83D-05 DE=-3.42D-09 OVMax= 6.05D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.52D-07    CP:  1.37D+00  1.17D+00  1.10D+00  1.19D+00  1.15D+00
                    CP:  9.96D-01  1.14D+00  1.23D+00  1.09D+00
 E= -385.582401933209     Delta-E=       -0.000000000136 Rises=F Damp=F
 DIIS: error= 2.59D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.582401933209     IErMin=10 ErrMin= 2.59D-07
 ErrMax= 2.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-11 BMatP= 7.63D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-04-0.179D-03-0.795D-04 0.139D-02 0.389D-02-0.238D-02
 Coeff-Com: -0.373D-01-0.548D-01 0.335D+00 0.755D+00
 Coeff:      0.109D-04-0.179D-03-0.795D-04 0.139D-02 0.389D-02-0.238D-02
 Coeff:     -0.373D-01-0.548D-01 0.335D+00 0.755D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.52D-07 MaxDP=4.34D-06 DE=-1.36D-10 OVMax= 3.03D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.62D-08    CP:  1.37D+00  1.17D+00  1.10D+00  1.19D+00  1.15D+00
                    CP:  9.95D-01  1.14D+00  1.24D+00  1.12D+00  1.03D+00
 E= -385.582401933264     Delta-E=       -0.000000000056 Rises=F Damp=F
 DIIS: error= 7.72D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.582401933264     IErMin=11 ErrMin= 7.72D-08
 ErrMax= 7.72D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-12 BMatP= 1.76D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.340D-05-0.344D-04-0.351D-04 0.123D-03 0.796D-03 0.116D-02
 Coeff-Com: -0.218D-02-0.149D-01-0.523D-01 0.762D-01 0.991D+00
 Coeff:      0.340D-05-0.344D-04-0.351D-04 0.123D-03 0.796D-03 0.116D-02
 Coeff:     -0.218D-02-0.149D-01-0.523D-01 0.762D-01 0.991D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=5.33D-08 MaxDP=1.61D-06 DE=-5.56D-11 OVMax= 1.59D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.37D-08    CP:  1.37D+00  1.17D+00  1.10D+00  1.19D+00  1.15D+00
                    CP:  9.94D-01  1.14D+00  1.24D+00  1.13D+00  1.09D+00
                    CP:  1.27D+00
 E= -385.582401933258     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 4.07D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -385.582401933264     IErMin=12 ErrMin= 4.07D-08
 ErrMax= 4.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.24D-13 BMatP= 1.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.833D-06 0.198D-04 0.300D-05-0.195D-03-0.420D-03 0.709D-03
 Coeff-Com:  0.562D-02 0.469D-02-0.717D-01-0.105D+00 0.268D+00 0.898D+00
 Coeff:     -0.833D-06 0.198D-04 0.300D-05-0.195D-03-0.420D-03 0.709D-03
 Coeff:      0.562D-02 0.469D-02-0.717D-01-0.105D+00 0.268D+00 0.898D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=2.11D-08 MaxDP=4.88D-07 DE= 6.25D-12 OVMax= 9.41D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.26D-08    CP:  1.37D+00  1.17D+00  1.10D+00  1.19D+00  1.15D+00
                    CP:  9.94D-01  1.14D+00  1.24D+00  1.13D+00  1.11D+00
                    CP:  1.38D+00  1.23D+00
 E= -385.582401933276     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 1.99D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -385.582401933276     IErMin=13 ErrMin= 1.99D-08
 ErrMax= 1.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.54D-14 BMatP= 3.24D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.833D-06 0.113D-04 0.817D-05-0.718D-04-0.267D-03-0.816D-04
 Coeff-Com:  0.178D-02 0.431D-02-0.634D-02-0.401D-01-0.141D+00 0.220D+00
 Coeff-Com:  0.962D+00
 Coeff:     -0.833D-06 0.113D-04 0.817D-05-0.718D-04-0.267D-03-0.816D-04
 Coeff:      0.178D-02 0.431D-02-0.634D-02-0.401D-01-0.141D+00 0.220D+00
 Coeff:      0.962D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.22D-08 MaxDP=2.26D-07 DE=-1.83D-11 OVMax= 4.91D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.05D-09    CP:  1.37D+00  1.17D+00  1.10D+00  1.19D+00  1.15D+00
                    CP:  9.94D-01  1.14D+00  1.24D+00  1.13D+00  1.11D+00
                    CP:  1.42D+00  1.41D+00  1.27D+00
 E= -385.582401933278     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 8.98D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -385.582401933278     IErMin=14 ErrMin= 8.98D-09
 ErrMax= 8.98D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.59D-15 BMatP= 6.54D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.158D-07-0.149D-05 0.128D-05 0.225D-04 0.325D-04-0.144D-03
 Coeff-Com: -0.762D-03-0.745D-04 0.129D-01 0.135D-01-0.779D-01-0.143D+00
 Coeff-Com:  0.175D+00 0.102D+01
 Coeff:     -0.158D-07-0.149D-05 0.128D-05 0.225D-04 0.325D-04-0.144D-03
 Coeff:     -0.762D-03-0.745D-04 0.129D-01 0.135D-01-0.779D-01-0.143D+00
 Coeff:      0.175D+00 0.102D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=4.89D-09 MaxDP=1.52D-07 DE=-1.82D-12 OVMax= 2.01D-07

 SCF Done:  E(RM11) =  -385.582401933     A.U. after   14 cycles
            NFock= 14  Conv=0.49D-08     -V/T= 2.0119
 KE= 3.810345166876D+02 PE=-1.744846071096D+03 EE= 5.529988835795D+02
 Leave Link  502 at Thu Aug 12 21:45:36 2021, MaxMem=  5368709120 cpu:             756.2 elap:              94.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.82521989D+02

 Leave Link  801 at Thu Aug 12 21:45:36 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 3.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 1.79D-01 6.22D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 2.73D-02 3.98D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.32D-03 9.21D-03.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 1.84D-04 2.65D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 1.33D-05 4.31D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 4.62D-07 8.90D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 1.17D-08 1.42D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 2.16D-10 2.59D-06.
     11 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 4.12D-12 3.12D-07.
      5 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 8.41D-14 4.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.82D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.126415D+03
      2  0.135249D+01  0.105135D+03
      3 -0.302130D+01  0.281182D+01  0.685835D+02
 Isotropic polarizability for W=    0.085645      100.04 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.910961D+02 -0.892396D+01  0.109838D+02
      2   0.411675D+02  0.229542D+02 -0.415690D+01
      3   0.499286D+02 -0.140303D+02 -0.682692D+01
      4   0.229758D+02 -0.696520D+02 -0.165923D+02
      5   0.575114D+01 -0.167651D+02  0.112844D+02
      6  -0.566163D+01 -0.302441D+01  0.131760D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.112940D+01 -0.380742D+01 -0.620385D+01
      2   0.121407D+02 -0.679406D+01  0.428065D+01
      3   0.112732D+02  0.387955D+02  0.655366D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.172748D+00  0.113248D+01 -0.272063D+02
      2   0.523268D+01 -0.109307D+02 -0.386442D+02
      3   0.318998D+02  0.110819D+03  0.111035D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.163384D+00 -0.128767D+01 -0.680659D+00
      2  -0.128767D+01  0.110885D+01 -0.174714D+01
      3  -0.680659D+00 -0.174714D+01 -0.564610D-01
 OR G Eigenvalues:    -2.1940     0.5312     2.5518  Iso=    -0.2963
 Eigenvectors:
   (1)   0.556643   0.547525   0.624792
   (2)   0.784856  -0.100083  -0.611543
   (3)  -0.272304   0.830782  -0.485439
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2963 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =     -115.04 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 7.46D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.72D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 3.91D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 3.41D-02 3.52D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 1.53D-03 7.31D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 2.69D-05 8.75D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 4.46D-07 1.09D-04.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 5.68D-09 8.78D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 5.78D-11 9.49D-07.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 4.50D-13 8.12D-08.
     12 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 3.84D-15 7.05D-09.
      7 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 1.03D-15 5.29D-09.
      1 vectors produced by pass 10 Test12= 2.11D-14 2.78D-09 XBig12= 7.20D-16 3.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 9.85D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 9.85D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.66D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126415D+03  0.135249D+01 -0.302130D+01
      2   0.135249D+01  0.105135D+03  0.281182D+01
      3  -0.302130D+01  0.281182D+01  0.685835D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.112940D+01 -0.380742D+01 -0.620385D+01
      2   0.121407D+02 -0.679406D+01  0.428065D+01
      3   0.112732D+02  0.387955D+02  0.655366D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.910961D+02 -0.892396D+01  0.109838D+02
      2   0.411675D+02  0.229542D+02 -0.415690D+01
      3   0.499286D+02 -0.140303D+02 -0.682692D+01
      4   0.229758D+02 -0.696520D+02 -0.165923D+02
      5   0.575114D+01 -0.167651D+02  0.112844D+02
      6  -0.566163D+01 -0.302441D+01  0.131760D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.401438D+01 -0.250692D+01  0.107136D+01 -0.431921D+01  0.323206D+01
      2  -0.250692D+01  0.200109D+01 -0.836518D+00  0.323206D+01 -0.459184D+01
      3   0.107136D+01 -0.836518D+00  0.152314D+01 -0.607683D+00  0.143712D+01
                 6             7             8             9            10 
      1  -0.607683D+00 -0.138319D+00 -0.605929D+00  0.148627D+01 -0.301036D+01
      2   0.143712D+01 -0.605929D+00  0.345750D+00 -0.117829D+01  0.709759D+00
      3  -0.705329D+00  0.148627D+01 -0.117829D+01 -0.438570D+01  0.880897D+00
                11            12            13            14            15 
      1   0.709759D+00  0.880897D+00  0.171264D+01 -0.421309D+01  0.682378D-01
      2  -0.222104D+01  0.246776D+00 -0.421309D+01  0.240194D-01 -0.699744D+00
      3   0.246776D+00 -0.790232D+00  0.682378D-01 -0.699744D+00  0.203616D+01
                16            17            18            19            20 
      1   0.244459D+01 -0.269342D-02 -0.324286D+01 -0.739238D+00  0.178554D+00
      2  -0.269342D-02 -0.833930D+00  0.280944D+01  0.178554D+00 -0.214753D+00
      3  -0.324286D+01  0.280944D+01  0.645226D+01  0.265365D+00  0.287302D+00
                21            22            23            24            25 
      1   0.265365D+00  0.504081D+00  0.926566D-01  0.437891D-01  0.171725D+01
      2   0.287302D+00  0.926566D-01 -0.441837D+00  0.526958D+00 -0.402470D+00
      3  -0.137748D+01  0.437891D-01  0.526958D+00  0.399570D+00  0.455552D+00
                26            27            28            29            30 
      1  -0.402470D+00  0.455552D+00  0.196141D+01 -0.489573D+00 -0.187706D+01
      2   0.155409D+01 -0.102480D+01 -0.489573D+00  0.693999D+00  0.347166D+00
      3  -0.102480D+01  0.638776D+01 -0.187706D+01  0.347166D+00  0.139112D+01
                31            32            33            34            35 
      1  -0.170783D+01  0.160671D+01  0.595009D+00 -0.449467D+01  0.676603D+00
      2   0.160671D+01 -0.125837D+01 -0.134367D+01  0.676603D+00 -0.152482D+01
      3   0.595009D+00 -0.134367D+01 -0.178619D+01  0.290176D+01 -0.194141D+01
                36            37            38            39            40 
      1   0.290176D+01 -0.737121D+01  0.206391D+01  0.847313D+00  0.417843D+01
      2  -0.194141D+01  0.206391D+01  0.260914D+01 -0.309647D+00  0.284311D+01
      3  -0.767200D+01  0.847313D+00 -0.309647D+00  0.142415D+01 -0.251289D+00
                41            42            43            44            45 
      1   0.284311D+01 -0.251289D+00  0.700588D+00  0.943497D-01  0.665471D+00
      2  -0.411299D+00  0.155192D+01  0.943497D-01  0.175448D+01 -0.379543D+01
      3   0.155192D+01 -0.388502D+01  0.665471D+00 -0.379543D+01 -0.363210D+01
                46            47            48            49            50 
      1   0.155741D+02 -0.176657D+01 -0.838063D+00 -0.160061D+01 -0.166901D+01
      2  -0.176657D+01  0.270416D+01  0.247781D-01 -0.166901D+01 -0.166645D+00
      3  -0.838063D+00  0.247781D-01  0.183226D+01 -0.367874D+00  0.138225D+00
                51            52            53            54            55 
      1  -0.367874D+00 -0.601721D+00 -0.346397D+00  0.372086D+01  0.439495D+00
      2   0.138225D+00 -0.346397D+00 -0.771174D-01 -0.341340D+00  0.152886D+00
      3  -0.372570D+00  0.372086D+01 -0.341340D+00 -0.142817D+01  0.849206D+00
                56            57            58            59            60 
      1   0.152886D+00  0.849206D+00  0.128939D+00  0.114666D+00  0.151671D+00
      2  -0.521558D+00 -0.669019D-01  0.114666D+00  0.187713D+01  0.129440D+01
      3  -0.669019D-01 -0.631031D+00  0.151671D+00  0.129440D+01  0.174431D+01
                61            62            63            64            65 
      1   0.202761D+01  0.713667D+00  0.559733D+00 -0.156300D+00  0.418105D+00
      2   0.713667D+00  0.202466D+01  0.232628D+01  0.418105D+00 -0.776340D+00
      3   0.559733D+00  0.232628D+01  0.616690D+01 -0.750549D+00  0.293577D+00
                66            67            68            69            70 
      1  -0.750549D+00  0.102944D+01  0.218673D+00 -0.700938D-01 -0.161659D+01
      2   0.293577D+00  0.218673D+00  0.510207D+01 -0.251927D+01 -0.467364D+00
      3  -0.610746D+00 -0.700938D-01 -0.251927D+01  0.252783D+01  0.539703D-01
                71            72            73            74            75 
      1  -0.467364D+00  0.539703D-01  0.123378D+02  0.378909D+00 -0.763675D+00
      2  -0.297683D+01  0.263546D+01  0.378909D+00  0.101793D+01 -0.112870D-01
      3   0.263546D+01 -0.297430D+01 -0.763675D+00 -0.112870D-01  0.110545D+01
                76            77            78            79            80 
      1  -0.178706D+01  0.907899D+00  0.667658D-01 -0.964699D+00 -0.613933D-01
      2   0.907899D+00 -0.412855D+00 -0.290133D+00 -0.613933D-01 -0.443897D+00
      3   0.667658D-01 -0.290133D+00  0.215053D-01  0.137076D+01  0.377499D+00
                81            82            83            84            85 
      1   0.137076D+01 -0.468257D+01 -0.920941D+00  0.434906D-01  0.744203D+01
      2   0.377499D+00 -0.920941D+00  0.272259D+01  0.614649D+00  0.177237D+00
      3  -0.693742D-01  0.434906D-01  0.614649D+00  0.146428D+01 -0.139588D+00
                86            87            88            89            90 
      1   0.177237D+00 -0.139588D+00  0.145768D+01  0.358397D-01  0.157771D+01
      2   0.156194D+01 -0.593812D+00  0.358397D-01 -0.982969D+00  0.344909D+01
      3  -0.593812D+00  0.207038D+01  0.157771D+01  0.344909D+01  0.413800D+00
                91            92            93            94            95 
      1   0.351181D+01  0.866842D-01 -0.297312D+00  0.507136D+01  0.220580D+00
      2   0.866842D-01 -0.208583D+01  0.342226D+00  0.220580D+00  0.101820D+01
      3  -0.297312D+00  0.342226D+00 -0.919210D+00  0.152888D+00 -0.550944D+00
                96            97            98            99           100 
      1   0.152888D+00 -0.654014D-01  0.655819D+00 -0.207482D+01 -0.491008D+01
      2  -0.550944D+00  0.655819D+00 -0.612242D+00  0.351678D+01 -0.476127D-01
      3   0.193524D+01 -0.207482D+01  0.351678D+01  0.145848D+01 -0.471248D+00
               101           102           103           104           105 
      1  -0.476127D-01 -0.471248D+00  0.358438D+00  0.310038D+00  0.532020D+00
      2  -0.321415D+01 -0.737680D-01  0.310038D+00 -0.470317D+00 -0.261774D+00
      3  -0.737680D-01 -0.242101D+01  0.532020D+00 -0.261774D+00 -0.839412D-02
               106           107           108           109           110 
      1  -0.447260D+00  0.597634D+00 -0.512650D+01  0.220786D+01 -0.215272D+00
      2   0.597634D+00  0.206375D+00  0.754549D-01 -0.215272D+00 -0.244092D+01
      3  -0.512650D+01  0.754549D-01  0.109043D+01 -0.465117D+00 -0.559548D+00
               111           112           113           114           115 
      1  -0.465117D+00 -0.499327D+01  0.655070D+00  0.605252D+00 -0.116737D+01
      2  -0.559548D+00  0.655070D+00 -0.264841D+00  0.658905D+00  0.149000D+00
      3  -0.139006D+01  0.605252D+00  0.658905D+00 -0.196816D+01 -0.265819D+01
               116           117           118           119           120 
      1   0.149000D+00 -0.265819D+01 -0.380968D+01  0.176844D+01  0.264413D+00
      2   0.112885D+01 -0.324391D+01  0.176844D+01  0.266557D+01 -0.163690D+00
      3  -0.324391D+01 -0.282693D+00  0.264413D+00 -0.163690D+00  0.100741D+01
               121           122           123           124           125 
      1  -0.640063D+01  0.595785D+00 -0.160504D+00  0.721237D-02 -0.501897D+00
      2   0.595785D+00 -0.144172D+01  0.522828D+00 -0.501897D+00  0.159965D+00
      3  -0.160504D+00  0.522828D+00 -0.188797D+01  0.923218D+00 -0.351754D+01
               126           127           128           129           130 
      1   0.923218D+00  0.291549D+01  0.225194D+01  0.531689D-01  0.242820D+01
      2  -0.351754D+01  0.225194D+01  0.230714D+01  0.432069D-01  0.276023D+01
      3  -0.160980D+01  0.531689D-01  0.432069D-01  0.231761D+00  0.155165D+00
               131           132           133           134           135 
      1   0.276023D+01  0.155165D+00 -0.122325D+00  0.142260D+00 -0.414574D-01
      2   0.668475D+01  0.382046D+00  0.142260D+00  0.557656D+00  0.141598D+00
      3   0.382046D+00  0.679946D+00 -0.414574D-01  0.141598D+00  0.874788D-01
               136           137           138           139           140 
      1  -0.295325D+01  0.303016D+01  0.531015D+00  0.267595D+01 -0.400852D+01
      2   0.303016D+01 -0.311047D+01 -0.539132D+00 -0.400852D+01  0.869448D+01
      3   0.531015D+00 -0.539132D+00 -0.553742D+00 -0.572407D+00  0.117979D+01
               141           142           143           144           145 
      1  -0.572407D+00  0.627369D+00 -0.751539D+00 -0.247975D+00 -0.132779D+02
      2   0.117979D+01 -0.751539D+00  0.136697D+01  0.372481D+00  0.409918D+00
      3   0.108657D+01 -0.247975D+00  0.372481D+00  0.244123D+00  0.110831D+01
               146           147           148           149           150 
      1   0.409918D+00  0.110831D+01  0.432266D+00 -0.163975D+01 -0.211096D+00
      2  -0.791546D+00 -0.646105D-02 -0.163975D+01  0.128654D+00  0.147311D+00
      3  -0.646105D-02 -0.114524D+01 -0.211096D+00  0.147311D+00  0.607909D-01
               151           152           153           154           155 
      1   0.122719D+01 -0.204535D+00 -0.235547D+00 -0.406898D+01 -0.360446D+01
      2  -0.204535D+00  0.811437D-01  0.224978D-01 -0.360446D+01 -0.361966D+01
      3  -0.235547D+00  0.224978D-01  0.180340D+00 -0.136720D+00 -0.905274D-01
               156           157           158           159           160 
      1  -0.136720D+00 -0.338365D+01 -0.450277D+01 -0.349329D+00 -0.136747D+00
      2  -0.905274D-01 -0.450277D+01 -0.786074D+01 -0.470271D+00 -0.242583D+00
      3  -0.566634D+00 -0.349329D+00 -0.470271D+00 -0.887970D+00 -0.162340D+00
               161           162           163           164           165 
      1  -0.242583D+00 -0.162340D+00  0.201717D+01 -0.189791D+01 -0.314789D+00
      2  -0.622600D+00 -0.335863D+00 -0.189791D+01  0.227464D+01  0.457798D+00
      3  -0.335863D+00 -0.153118D+00 -0.314789D+00  0.457798D+00  0.425812D+00
               166           167           168           169           170 
      1  -0.176951D+01  0.229843D+01  0.359066D+00 -0.454377D+00  0.521629D+00
      2   0.229843D+01 -0.777078D+01 -0.110989D+01  0.521629D+00 -0.110554D+01
      3   0.359066D+00 -0.110989D+01 -0.106069D+01  0.743840D-01 -0.347983D+00
               171 
      1   0.743840D-01
      2  -0.347983D+00
      3  -0.274319D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.131635D+01  0.934864D+00  0.318095D+01 -0.210826D+01  0.687691D+00
      2   0.860235D+00 -0.262315D+01  0.939612D+01  0.431745D-01  0.320942D+01
      3   0.162828D+01 -0.956941D+01  0.169490D+01 -0.944231D+00  0.101866D+02
                 6             7             8             9            10 
      1  -0.672756D+01  0.342442D+00  0.141056D+01 -0.653315D+01 -0.533800D-01
      2  -0.240109D+01  0.310469D+01 -0.161906D+01 -0.101272D+02  0.187709D+01
      3  -0.257523D+01  0.111214D+01 -0.198354D+01  0.107058D+01 -0.143985D+01
                11            12            13            14            15 
      1   0.534912D+00  0.100932D-01  0.304959D+01  0.147257D+01 -0.438586D+00
      2   0.282983D+00 -0.152193D+01 -0.719578D+00 -0.365469D+01  0.377274D+01
      3   0.208724D+01  0.441649D-01  0.146387D+02  0.415927D+00  0.180585D+01
                16            17            18            19            20 
      1   0.189085D+00  0.406685D+01 -0.211873D+01  0.420889D+00 -0.398021D+00
      2  -0.122764D+02  0.473448D+01  0.978655D+01  0.291286D+01  0.205263D+00
      3   0.546892D+00  0.359969D+01 -0.687540D+01  0.115847D+01  0.925198D+00
                21            22            23            24            25 
      1  -0.215195D+01 -0.288473D+00  0.120361D+01  0.327703D+00  0.174433D+00
      2  -0.342372D+01 -0.113413D+01  0.904214D+00  0.106971D+01 -0.233237D+01
      3  -0.903652D+00  0.106987D+01  0.446263D+00 -0.594759D+00 -0.347214D+00
                26            27            28            29            30 
      1   0.817670D+00  0.966686D+01 -0.816140D-01 -0.132651D+01 -0.869082D-01
      2  -0.231436D+01  0.148057D+02 -0.213596D+01  0.543361D+00  0.279793D+01
      3  -0.248353D+01  0.310988D+01  0.689140D+00 -0.325792D+01 -0.395845D+00
                31            32            33            34            35 
      1  -0.157887D+01  0.112397D+01 -0.437536D+00  0.116512D+00  0.232429D+01
      2   0.222646D+00 -0.109871D+01 -0.313821D+01  0.106155D+01 -0.308491D+01
      3  -0.213886D+01  0.226727D+01  0.259970D+01 -0.246124D+00  0.279183D+01
                36            37            38            39            40 
      1  -0.169575D+00 -0.199429D+01 -0.508012D+00 -0.251040D+01 -0.117061D+01
      2  -0.127050D+02  0.281879D+01  0.202338D+00  0.635017D+01  0.639172D+00
      3   0.401527D+01 -0.174961D+02 -0.902227D+01  0.230287D+01 -0.170565D+01
                41            42            43            44            45 
      1  -0.392739D+01  0.273914D+01  0.756545D+00  0.723275D+01  0.427633D+01
      2   0.502891D+01 -0.104156D+02 -0.111470D+01 -0.107942D+02 -0.930303D+01
      3   0.612111D+01 -0.526675D+01  0.214816D+01 -0.493043D+01  0.137348D+02
                46            47            48            49            50 
      1   0.235762D+00  0.101165D+01  0.140697D+01  0.272348D+01 -0.166534D+01
      2  -0.193369D+01 -0.445317D+00 -0.641991D+00 -0.370318D+00 -0.257513D+00
      3   0.588722D+01  0.531552D+01 -0.386643D-01  0.147566D+02  0.591020D+00
                51            52            53            54            55 
      1   0.172220D+01  0.532974D+00  0.956206D+01  0.140003D+01 -0.857930D+00
      2  -0.614802D+00 -0.125441D+02 -0.617392D+00 -0.906759D-01  0.311268D+01
      3  -0.608588D+00 -0.150775D+01 -0.259851D+01  0.237450D+00 -0.695448D+00
                56            57            58            59            60 
      1  -0.208375D+00  0.824189D+00 -0.138321D+00 -0.141827D+01 -0.386004D+01
      2  -0.147589D+00 -0.111059D+01 -0.268595D+00  0.335834D+01  0.503140D+01
      3   0.170085D+01  0.160277D+01  0.210019D+01 -0.522218D+01 -0.371675D+01
                61            62            63            64            65 
      1  -0.571932D+00 -0.769936D+00 -0.893734D+01  0.530529D+00  0.855177D-01
      2  -0.166478D+01  0.602209D+01  0.163715D+02 -0.264152D+01  0.491195D+00
      3   0.163978D+01 -0.530343D+01 -0.717928D+01 -0.334619D+01  0.262329D+01
                66            67            68            69            70 
      1   0.126195D+01  0.187448D+00  0.164253D+01 -0.465228D+01  0.423550D+00
      2  -0.136365D+01  0.655686D+00 -0.613738D+01  0.613693D+01 -0.213957D+01
      3  -0.209242D+01  0.404894D+01 -0.144513D+02  0.744994D+01 -0.217758D+01
                71            72            73            74            75 
      1  -0.137019D+01  0.397660D+01  0.369105D+00 -0.289533D+00 -0.122026D+01
      2   0.606387D+01 -0.709316D+01 -0.476630D+00  0.216335D+00  0.545949D+01
      3   0.809397D+01 -0.789854D+01  0.141768D+02 -0.556002D+01 -0.103642D+01
                76            77            78            79            80 
      1  -0.165100D+00  0.394802D+00 -0.524014D+00 -0.126696D+01  0.517903D+00
      2   0.350028D-01 -0.602054D+00 -0.242841D+00  0.250147D+01  0.993981D+00
      3  -0.309326D+01  0.250134D+01  0.100253D+01 -0.112210D+01  0.144367D+01
                81            82            83            84            85 
      1  -0.168357D+00 -0.135052D+01  0.324031D+00 -0.242802D+01  0.780040D+00
      2   0.121806D+00 -0.211875D+01  0.890071D-01 -0.143415D+01  0.212494D+01
      3  -0.524509D-01 -0.583902D+01 -0.198773D+01  0.106360D+01  0.548610D+01
                86            87            88            89            90 
      1   0.332592D+00 -0.247553D+01 -0.531557D+01  0.332307D+01  0.655758D+00
      2  -0.207266D+00 -0.116058D+01 -0.132297D+02 -0.612183D+00  0.904064D+00
      3   0.424357D+01 -0.758267D+00  0.150446D+01  0.168677D+00  0.510227D+01
                91            92            93            94            95 
      1   0.168707D+01 -0.734345D+00  0.150941D+01  0.107056D+00  0.943847D-01
      2   0.765750D-01  0.399028D+00  0.950991D+00  0.559965D+00  0.188079D+01
      3   0.373255D+01 -0.105473D+02 -0.112552D+01  0.621012D+01  0.145196D+01
                96            97            98            99           100 
      1  -0.248604D+01  0.502186D+01  0.152017D+01 -0.639473D+00 -0.681006D-01
      2  -0.491670D+01 -0.671863D+01 -0.921919D+01 -0.196851D+01  0.275561D-01
      3  -0.129815D+01  0.531973D-01 -0.129518D+01  0.471333D+01 -0.598430D+00
               101           102           103           104           105 
      1   0.781976D+00  0.514170D+00  0.359515D+00 -0.178060D+01  0.179667D+01
      2  -0.269839D-01  0.665082D+01 -0.210331D+01  0.749802D-01  0.134894D+00
      3  -0.678777D+01 -0.741918D-01  0.107533D+02 -0.304926D+01 -0.149106D+01
               106           107           108           109           110 
      1   0.117867D+01  0.112684D+02  0.963846D+00 -0.105696D+01 -0.430840D+00
      2   0.689409D+01 -0.529132D+00 -0.193187D+01  0.717995D+00  0.164572D+01
      3   0.183915D+01 -0.390680D+00 -0.540546D+00  0.411553D+00 -0.124336D+02
               111           112           113           114           115 
      1  -0.228135D+01  0.116844D+01  0.241824D+00 -0.187213D+01 -0.585189D+01
      2   0.215504D+01 -0.571452D+00 -0.170580D+01  0.471884D+01 -0.451641D+01
      3  -0.129906D+01  0.407434D+01  0.205356D+01  0.107498D+01  0.352224D+00
               116           117           118           119           120 
      1   0.291646D+01  0.169886D+01  0.651188D+00 -0.213659D+00  0.156656D+01
      2   0.929067D+01  0.154997D+01 -0.255531D+01  0.116475D+01 -0.115672D+01
      3   0.285299D+01 -0.424215D+01 -0.690774D-01 -0.290115D+01 -0.159227D+01
               121           122           123           124           125 
      1  -0.701040D+00 -0.556576D+00 -0.271170D+01  0.484197D+01  0.274601D+01
      2   0.441793D+00  0.402268D+00  0.212008D+01 -0.132475D+02  0.112224D+01
      3   0.235430D+01 -0.723202D+01  0.688570D-01 -0.249847D+01  0.713160D+00
               126           127           128           129           130 
      1  -0.169636D+01  0.192572D+00  0.266953D+00 -0.144821D+01 -0.194051D+00
      2   0.212588D+01 -0.518577D+00 -0.173429D+00  0.166532D+00 -0.159313D+00
      3  -0.518476D+01  0.885655D+01  0.456708D+01  0.268626D-01  0.826527D+01
               131           132           133           134           135 
      1  -0.320575D+00 -0.315412D+01  0.474863D+00  0.148610D+01 -0.212327D+00
      2  -0.438830D+00  0.827903D+00 -0.183930D+01 -0.466205D+00 -0.427619D-01
      3   0.695074D+01  0.483549D+00 -0.254365D+00  0.179341D+00  0.265286D-01
               136           137           138           139           140 
      1  -0.226654D+00  0.177072D+00  0.196625D+01  0.115970D+00  0.181536D+00
      2  -0.465892D+00  0.685544D+00  0.200562D+01  0.503984D+00 -0.194087D+01
      3   0.851805D+00 -0.275266D+01 -0.393543D+00 -0.195599D+01  0.131787D+02
               141           142           143           144           145 
      1  -0.407313D+01 -0.488789D+00  0.169951D+01 -0.347345D+00 -0.133175D+00
      2  -0.333351D+01 -0.323117D+00  0.190007D+00 -0.508594D+00 -0.165660D+01
      3   0.166559D+01 -0.506698D+00  0.173263D+01  0.218550D+00 -0.318147D+00
               146           147           148           149           150 
      1  -0.339910D+00  0.261563D+00 -0.173893D+00 -0.274525D-01 -0.264376D+00
      2  -0.646107D-01  0.650439D+01  0.828823D+00 -0.309968D+00 -0.366588D+00
      3  -0.513490D+01  0.166102D+00 -0.415697D+01  0.324240D+00  0.387936D+00
               151           152           153           154           155 
      1  -0.125838D+00  0.603243D+00 -0.269961D-01  0.217780D+00  0.495985D+00
      2  -0.250128D+01 -0.152391D-01 -0.573729D+00 -0.387612D+00 -0.401880D+00
      3  -0.794984D+00  0.533059D+00  0.223083D+00 -0.131193D+01 -0.426436D+01
               156           157           158           159           160 
      1  -0.212668D+01 -0.137508D+00  0.136465D+00 -0.361567D+01  0.597797D+00
      2   0.238951D+01  0.262984D+00  0.427330D+00  0.327315D+01 -0.532153D+00
      3   0.291731D-01 -0.316592D+01 -0.123805D+02 -0.502441D+00 -0.487931D+00
               161           162           163           164           165 
      1   0.119488D+01 -0.186120D+00  0.201377D+00 -0.163754D+00  0.175167D+01
      2  -0.188157D+00  0.313125D+00  0.973210D+00 -0.636941D+00  0.122090D+00
      3  -0.145750D+01 -0.434857D+00 -0.695371D+01  0.444310D+01  0.614916D+00
               166           167           168           169           170 
      1  -0.321846D+00  0.778591D+00 -0.358893D+01 -0.354180D+00  0.200699D+01
      2  -0.991477D+00  0.106683D+01 -0.495725D+00 -0.180573D+01  0.368829D+00
      3   0.662713D+01 -0.772330D+01 -0.123903D+01  0.747197D+00 -0.166624D+01
               171 
      1  -0.196274D+00
      2  -0.121872D+00
      3  -0.438058D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.180266D+02 -0.257113D+01 -0.542017D+00 -0.494280D+01 -0.218894D+01
      2  -0.751781D+01 -0.285339D+01 -0.301698D+01 -0.166696D+01  0.138069D+02
      3  -0.105088D+02  0.542452D+01  0.355900D+01  0.660976D+01 -0.116179D+02
      4  -0.165527D+02  0.205213D+02 -0.342318D+01  0.254037D+02 -0.270227D+02
      5   0.727250D+01 -0.397329D+01  0.137382D+02 -0.528647D+01  0.719861D+01
      6  -0.301092D+01  0.277468D+01 -0.535263D+01  0.459726D+01 -0.710516D+01
                 6             7             8             9            10 
      1   0.330481D+01  0.867897D+00  0.322293D+00  0.933498D+01  0.112622D+02
      2  -0.253871D+00  0.114348D+00 -0.248403D+01  0.132225D+01 -0.689628D+01
      3  -0.305094D+01 -0.982246D+00  0.216173D+01 -0.106572D+02 -0.436591D+01
      4   0.734674D+01 -0.516285D+01  0.485947D+01 -0.962475D+01  0.392696D+01
      5  -0.499831D+01  0.138621D+02 -0.705727D+01 -0.136462D+02  0.333165D+01
      6   0.964412D+01 -0.549632D+01  0.654670D+01  0.578072D+01 -0.200634D+01
                11            12            13            14            15 
      1  -0.265091D+01  0.207801D+00 -0.644529D+01 -0.773223D+01  0.104909D+01
      2  -0.365475D+00 -0.166003D+01 -0.642039D-01 -0.197757D+00  0.173677D+01
      3   0.301639D+01  0.145223D+01  0.650949D+01  0.792999D+01 -0.278586D+01
      4  -0.184340D+02  0.447576D+00 -0.283697D+02 -0.244583D+00 -0.406584D+01
      5   0.740815D+00 -0.100602D+02  0.273547D+01 -0.339938D+01  0.957368D+01
      6  -0.172770D+01  0.118619D+01 -0.189995D+01  0.180963D+01 -0.563151D+01
                16            17            18            19            20 
      1  -0.803206D+01  0.143157D+01  0.102715D+01 -0.110355D+01 -0.182676D+01
      2  -0.595629D+01  0.609076D+01  0.114094D+02 -0.452767D+00  0.110898D+01
      3   0.139884D+02 -0.752233D+01 -0.124366D+02  0.155632D+01  0.717788D+00
      4   0.297293D+01 -0.755406D+01  0.146804D+02  0.158226D+00 -0.164627D+01
      5  -0.170129D+02  0.135042D+02  0.254800D+02  0.136700D+01  0.210312D+00
      6   0.683225D+01 -0.961205D+00 -0.536852D+01 -0.352698D+00 -0.126443D+01
                21            22            23            24            25 
      1   0.548617D+01  0.430584D-01 -0.259071D+01 -0.348473D+00  0.518759D+01
      2  -0.138586D+00 -0.509899D+00  0.197508D+01 -0.238579D+01 -0.252194D+01
      3  -0.534759D+01  0.466841D+00  0.615633D+00  0.273426D+01 -0.266565D+01
      4  -0.860259D+00  0.714238D+00 -0.796743D+00  0.180145D+01 -0.412482D+01
      5  -0.350558D+01 -0.196681D-01  0.132484D+01  0.178326D+01  0.435004D+01
      6   0.307529D+01  0.423282D+00 -0.131240D+01  0.239631D+01 -0.640130D+00
                26            27            28            29            30 
      1   0.219740D+01 -0.131239D+02  0.423967D+01 -0.847632D+00 -0.434010D+01
      2  -0.127364D+01 -0.773722D+01 -0.613938D+01  0.133200D+01  0.497233D+01
      3  -0.923761D+00  0.208611D+02  0.189971D+01 -0.484366D+00 -0.632231D+00
      4   0.542538D+01 -0.189657D+01 -0.319089D+01  0.649945D+01  0.272067D+01
      5  -0.375511D+01  0.227667D+02 -0.103680D+02  0.267204D+01  0.119918D+02
      6   0.427372D+01 -0.129416D+02  0.266415D+01 -0.477887D+00 -0.143423D+01
                31            32            33            34            35 
      1   0.252009D-01 -0.223409D+01 -0.282151D+01 -0.300272D+01 -0.338488D+01
      2   0.154747D+01 -0.745520D+00 -0.967934D+00  0.952451D+01 -0.214151D+01
      3  -0.157267D+01  0.297961D+01  0.378944D+01 -0.652179D+01  0.552639D+01
      4   0.950941D+01 -0.596827D+01 -0.622961D+01  0.392306D+01 -0.691092D+01
      5   0.373086D+01 -0.564702D+01 -0.768652D+01  0.182828D+02 -0.828691D+01
      6  -0.222457D+01  0.419855D+01  0.846584D+01 -0.453167D+01  0.572925D+01
                36            37            38            39            40 
      1  -0.105486D+02 -0.528256D+02  0.108234D+01  0.649155D+01  0.143750D+02
      2  -0.159197D+02  0.330626D+02  0.473217D+01 -0.436310D+01 -0.324369D+01
      3   0.264683D+02  0.197630D+02 -0.581451D+01 -0.212846D+01 -0.111313D+02
      4  -0.948353D+01  0.263645D+01  0.172220D+02 -0.890658D-01  0.202354D+02
      5  -0.321092D+02  0.733885D+01 -0.133194D+01  0.784508D+01 -0.166352D+01
      6   0.996367D+01  0.280421D+01 -0.117079D+01  0.568689D+01 -0.704697D+00
                41            42            43            44            45 
      1   0.176603D+02 -0.514233D+01  0.746566D+01 -0.360540D+01  0.169569D+02
      2  -0.800716D+01  0.657498D+01 -0.265198D+01  0.616336D+01 -0.120530D+02
      3  -0.965316D+01 -0.143265D+01 -0.481368D+01 -0.255796D+01 -0.490390D+01
      4   0.415132D+01  0.698858D+01  0.189447D+01  0.816237D+01 -0.153055D+02
      5   0.709712D+01 -0.177074D+02  0.356606D+01 -0.179168D+02 -0.178712D+02
      6   0.793233D+01 -0.114801D+02  0.846816D+00 -0.133280D+02 -0.671627D+01
                46            47            48            49            50 
      1  -0.229106D+02 -0.370257D+00 -0.419861D+00  0.264925D+01 -0.952615D+01
      2   0.818732D+01  0.612483D+00 -0.362848D+00  0.525382D+00  0.147003D+02
      3   0.147233D+02 -0.242226D+00  0.782708D+00 -0.317463D+01 -0.517414D+01
      4  -0.730448D+01  0.503498D+01  0.194930D-01 -0.139397D+02  0.290259D+01
      5  -0.263262D+01  0.338455D-01  0.248857D+01 -0.160010D+01  0.107949D+01
      6  -0.231450D+00 -0.670205D+00 -0.154023D+01  0.154501D+01  0.211925D+01
                51            52            53            54            55 
      1  -0.198541D+00  0.339193D+01  0.288216D-01 -0.104683D+02  0.357204D+01
      2   0.244734D+01 -0.126395D+01  0.713306D+00 -0.385119D+01 -0.278676D+01
      3  -0.224879D+01 -0.212798D+01 -0.742127D+00  0.143195D+02 -0.785278D+00
      4   0.135865D+01 -0.961867D+00  0.183847D+01 -0.953488D+00  0.108459D+01
      5  -0.165810D+01  0.330738D+01 -0.110436D+01 -0.822726D-01  0.330636D+01
      6  -0.357863D+01  0.572793D+00  0.302561D+01 -0.190968D+01  0.290137D+01
                56            57            58            59            60 
      1   0.251689D+01  0.497177D+01  0.123859D+01 -0.729833D+01 -0.441428D+01
      2  -0.232571D+01 -0.171337D+01 -0.155737D-01  0.745115D+01  0.441096D+01
      3  -0.191182D+00 -0.325840D+01 -0.122302D+01 -0.152818D+00  0.332489D-02
      4  -0.106069D+01  0.220682D+01  0.277731D+01  0.853646D+01  0.599832D+01
      5   0.754838D+00  0.252700D+00  0.162792D+01  0.619955D+01  0.879847D+01
      6  -0.363852D+00 -0.166199D+01  0.874868D+00  0.621195D+01  0.105318D+02
                61            62            63            64            65 
      1   0.756954D+01 -0.392454D+01 -0.129167D+02  0.264223D+00  0.519182D+01
      2  -0.383062D+01  0.401232D+01  0.478549D-01  0.661523D+00 -0.443852D+01
      3  -0.373892D+01 -0.877759D-01  0.128689D+02 -0.925746D+00 -0.753296D+00
      4   0.756594D+01  0.101072D+02  0.995618D+01  0.822655D+00 -0.422553D+00
      5   0.659929D+01  0.115904D+02  0.295909D+02 -0.282915D+01 -0.172358D+00
      6   0.171029D+01  0.110846D+02  0.192258D+02 -0.313816D+01  0.184847D+01
                66            67            68            69            70 
      1  -0.536473D+01  0.428902D+01 -0.163046D+02  0.870958D+01 -0.621458D+01
      2   0.272864D+01 -0.185066D+01  0.224939D+02 -0.971785D+01  0.272909D+01
      3   0.263608D+01 -0.243836D+01 -0.618933D+01  0.100827D+01  0.348549D+01
      4  -0.153481D+01  0.592187D+01  0.225668D+02 -0.110279D+02 -0.612998D+01
      5  -0.972688D+00 -0.184055D+01 -0.114931D+02  0.117094D+02  0.316380D+01
      6  -0.287132D+01 -0.818216D+00 -0.136770D+02  0.125850D+02  0.502244D+00
                71            72            73            74            75 
      1   0.853505D+01 -0.122344D+02  0.868396D+02  0.759686D+00 -0.517742D+01
      2  -0.897514D+01  0.581943D+01 -0.469140D+02  0.162465D+01  0.343410D+01
      3   0.440090D+00  0.641496D+01 -0.399255D+02 -0.238433D+01  0.174332D+01
      4  -0.135427D+02  0.107711D+02  0.175914D+02  0.103842D+02 -0.106299D+01
      5   0.122104D+02 -0.128112D+02 -0.781223D+01 -0.133360D+00  0.105130D+02
      6   0.133061D+02 -0.133133D+02 -0.187980D+01 -0.306495D+00  0.235203D+01
                76            77            78            79            80 
      1  -0.118832D+02  0.628154D+01  0.114344D+01 -0.588110D+01  0.514590D+00
      2   0.851834D+01 -0.309754D+01 -0.132951D+01  0.399569D+01 -0.111126D+01
      3   0.336485D+01 -0.318401D+01  0.186078D+00  0.188542D+01  0.596672D+00
      4   0.798755D+01 -0.168934D+01 -0.154194D+01 -0.139496D+01 -0.235677D+01
      5   0.838363D+00 -0.179620D+01 -0.869627D+00  0.126443D+02  0.167637D+01
      6  -0.205026D+00 -0.692167D+00  0.166456D+01  0.208513D+01  0.240690D+01
                81            82            83            84            85 
      1   0.662996D+01  0.517159D+01 -0.162431D+02 -0.296154D+01  0.655490D+00
      2  -0.470669D+01 -0.506613D+01  0.123214D+02  0.134861D+01 -0.110061D+02
      3  -0.192328D+01 -0.105456D+00  0.392166D+01  0.161293D+01  0.103506D+02
      4   0.279331D+01 -0.108163D+02 -0.114800D+02  0.851856D+00  0.696849D+01
      5  -0.155469D+01 -0.128078D+01  0.121393D+01 -0.278912D+01  0.196010D+00
      6   0.243887D+00  0.274970D+01  0.175594D+01  0.476358D+01 -0.414377D+01
                86            87            88            89            90 
      1   0.458423D+01  0.188555D+01 -0.545637D+00  0.439607D+01 -0.141365D+02
      2  -0.908961D+01 -0.150540D+01 -0.119873D+01 -0.513358D+01  0.196431D+01
      3   0.450538D+01 -0.380150D+00  0.174437D+01  0.737504D+00  0.121722D+02
      4  -0.139640D+02 -0.134971D+01  0.379532D-01  0.196909D+01 -0.348861D+01
      5  -0.147370D+01 -0.547763D+00  0.309105D+01 -0.346850D+01  0.183653D+01
      6  -0.269302D+01  0.621996D+01  0.397353D+01  0.143842D+02 -0.102935D+01
                91            92            93            94            95 
      1   0.311268D+01  0.211052D+02  0.781223D+00 -0.229385D+02  0.104016D+02
      2  -0.426311D+01 -0.139045D+02 -0.514089D+00  0.218771D+02 -0.151943D+02
      3   0.115043D+01 -0.720074D+01 -0.267134D+00  0.106139D+01  0.479275D+01
      4   0.154823D+02 -0.578014D+01 -0.482943D+01  0.763918D+01  0.680311D+01
      5   0.269171D+01 -0.524659D+01  0.110041D+01 -0.601901D+00  0.333793D+01
      6  -0.467136D+01  0.248520D+01 -0.367382D+01  0.260393D+01 -0.609463D+01
                96            97            98            99           100 
      1   0.156923D+01 -0.115630D+01 -0.284327D+01 -0.423197D+01 -0.132013D+02
      2  -0.404749D+01  0.413445D+01 -0.283590D+01 -0.431377D+01  0.824263D+01
      3   0.247827D+01 -0.297816D+01  0.567916D+01  0.854575D+01  0.495862D+01
      4   0.338140D+01 -0.482175D+01  0.706266D+01 -0.147246D+02  0.133488D+01
      5  -0.100114D+02  0.128874D+02 -0.152172D+02 -0.430467D+01  0.762260D+01
      6   0.502551D+01 -0.674222D+01  0.142682D+02  0.224887D+01  0.445614D+00
               101           102           103           104           105 
      1   0.156639D+01  0.540013D+01 -0.267123D+01 -0.219067D+02 -0.362213D+01
      2  -0.111297D+01 -0.332166D+01  0.195990D+01  0.190964D+02  0.513441D+01
      3  -0.453424D+00 -0.207847D+01  0.711330D+00  0.281033D+01 -0.151228D+01
      4   0.215772D+02  0.556887D+00 -0.211870D+02  0.559428D+01  0.325859D+01
      5   0.571926D+00  0.143453D+02 -0.641744D+01  0.306114D+01  0.163177D+00
      6  -0.579298D+00 -0.106745D+01  0.296010D+01  0.187496D+01 -0.384742D+01
               106           107           108           109           110 
      1   0.827129D+01 -0.429649D+01  0.135584D+02  0.246173D+01 -0.226165D+02
      2  -0.322345D+01  0.371616D+01 -0.180344D+02 -0.474572D+01  0.135723D+02
      3  -0.504784D+01  0.580323D+00  0.447597D+01  0.228399D+01  0.904420D+01
      4  -0.701943D+01 -0.792157D+00 -0.760532D+00 -0.194368D+02  0.556590D+00
      5   0.343778D+02 -0.131330D+00 -0.421555D+01 -0.635577D+00  0.407962D+01
      6  -0.916336D+00  0.394011D+01 -0.195224D+01  0.283375D+01  0.240737D+01
               111           112           113           114           115 
      1  -0.302832D+01  0.233875D+02  0.755837D+01  0.548724D+00  0.477859D+01
      2   0.440258D+00 -0.229230D+02 -0.128930D+02 -0.367395D+00 -0.532319D+01
      3   0.258807D+01 -0.464447D+00  0.533461D+01 -0.181329D+00  0.544600D+00
      4   0.373494D+01  0.444652D+01 -0.138167D+02 -0.521795D+01  0.210008D+01
      5   0.475193D+01 -0.192757D+01 -0.499566D+01  0.979759D+01  0.165370D+02
      6   0.480078D+01 -0.420230D+01 -0.303658D+01  0.481419D+01  0.767705D+01
               116           117           118           119           120 
      1   0.524591D+01 -0.319021D+00  0.794544D+01  0.137088D+02 -0.180716D+00
      2  -0.592886D+01 -0.632641D+01 -0.636164D+01 -0.103332D+02  0.563596D+00
      3   0.682951D+00  0.664543D+01 -0.158380D+01 -0.337561D+01 -0.382880D+00
      4  -0.473811D+01  0.138260D+02  0.130980D+02 -0.160690D+02 -0.271731D+01
      5   0.147924D+02  0.360152D+01  0.789372D+00 -0.300875D+01 -0.378905D+01
      6   0.127565D+02 -0.208927D+01 -0.277490D+01  0.143912D+01 -0.313221D+01
               121           122           123           124           125 
      1  -0.100710D+01  0.805679D+01  0.332852D+01 -0.121697D+01  0.883563D-01
      2   0.847068D+01 -0.121696D+02 -0.413039D+01  0.303969D+01 -0.396519D+01
      3  -0.746359D+01  0.411282D+01  0.801872D+00 -0.182272D+01  0.387683D+01
      4   0.106278D+02  0.128731D+02  0.988218D+00  0.940058D+00  0.332810D+01
      5   0.145468D+01  0.811728D+00  0.173136D+01  0.652219D+00  0.468334D+01
      6   0.267828D+01 -0.582129D+01  0.488262D+01 -0.407645D+01  0.142222D+02
               126           127           128           129           130 
      1  -0.150455D+02 -0.361751D+01 -0.619621D+01 -0.106077D+00 -0.746087D+01
      2   0.119686D+01  0.638880D+01  0.917394D+01  0.219467D+00  0.112224D+02
      3   0.138486D+02 -0.277129D+01 -0.297773D+01 -0.113390D+00 -0.376158D+01
      4   0.510950D+01  0.785746D+01  0.767033D+01  0.468202D+00  0.754208D+01
      5   0.437564D+01  0.488506D+00  0.576951D+00  0.660294D+00  0.528344D+00
      6   0.447680D+01 -0.875838D-01 -0.574441D-01  0.171722D+01  0.605272D+00
               131           132           133           134           135 
      1  -0.236583D+02 -0.142239D+01 -0.765390D+00 -0.195153D+01 -0.107976D+01
      2   0.328057D+02  0.126498D+01  0.825985D+00  0.240612D+01  0.168724D+01
      3  -0.914740D+01  0.157410D+00 -0.605947D-01 -0.454587D+00 -0.607488D+00
      4   0.618639D+01  0.235241D+00  0.423740D+00 -0.243220D+00  0.148490D+01
      5   0.881638D+00  0.808684D+00  0.609339D+00  0.917943D+00 -0.412216D-01
      6   0.151110D+01  0.501847D+01  0.828434D+00  0.204193D+01  0.795014D+00
               136           137           138           139           140 
      1   0.858075D+01 -0.686241D+01 -0.928672D+00 -0.115691D+01 -0.104465D+02
      2   0.242759D+01 -0.455579D+01 -0.238051D-01 -0.108975D+02  0.325724D+02
      3  -0.110083D+02  0.114182D+02  0.952477D+00  0.120544D+02 -0.221258D+02
      4  -0.231517D+02  0.259749D+02  0.399514D+01  0.275196D+02 -0.483375D+02
      5  -0.340779D+01  0.354262D+01  0.464364D+01  0.334408D+01 -0.534990D+01
      6   0.257896D+01 -0.292019D+01 -0.305324D+01 -0.348322D+01  0.750848D+01
               141           142           143           144           145 
      1  -0.166713D+01 -0.774598D+00 -0.715991D+00 -0.107756D+01  0.100648D+03
      2   0.296876D+01 -0.108305D+01  0.340413D+01  0.233999D+01 -0.580751D+02
      3  -0.130164D+01  0.185765D+01 -0.268814D+01 -0.126243D+01 -0.425733D+02
      4  -0.627624D+01  0.515295D+01 -0.768390D+01 -0.351907D+01 -0.595935D+01
      5  -0.569683D+01  0.204683D+01 -0.260924D+01 -0.176270D+01 -0.981708D+01
      6   0.753662D+01 -0.210282D+01  0.401785D+01  0.212878D+01 -0.115388D+01
               146           147           148           149           150 
      1  -0.281221D+01 -0.693685D+01 -0.262718D+01  0.969107D+01  0.839085D+00
      2   0.134757D+01  0.490159D+01  0.113116D+01 -0.480662D+01 -0.694829D+00
      3   0.146464D+01  0.203526D+01  0.149602D+01 -0.488445D+01 -0.144256D+00
      4   0.853996D+01  0.241693D+00  0.151850D+02 -0.147020D+01 -0.127860D+01
      5   0.608131D-01  0.115086D+02  0.161934D+01 -0.115502D+01 -0.525277D+00
      6  -0.517800D+00 -0.186819D+00 -0.894590D+00 -0.756803D-01  0.143489D+01
               151           152           153           154           155 
      1  -0.868521D+01  0.932595D+00  0.455994D+01  0.157271D+02  0.108863D+02
      2   0.528016D+01 -0.618580D+00 -0.282473D+01 -0.766533D+00  0.294962D+01
      3   0.340505D+01 -0.314015D+00 -0.173521D+01 -0.149606D+02 -0.138359D+02
      4   0.192562D+01 -0.947957D+00 -0.389608D+00  0.287804D+02  0.293637D+02
      5   0.451925D+01 -0.239438D+00 -0.217373D+01  0.199441D+01  0.151845D+01
      6  -0.147920D-01  0.725251D+00  0.262675D+00  0.453929D+00  0.234143D+00
               156           157           158           159           160 
      1   0.686153D+00  0.563600D+01 -0.166842D+01  0.122368D+00 -0.545289D+00
      2  -0.237725D+00  0.879023D+01  0.236526D+02  0.397247D+00  0.993616D+00
      3  -0.448427D+00 -0.144262D+02 -0.219842D+02 -0.519616D+00 -0.448327D+00
      4   0.106823D+01  0.318690D+02  0.475215D+02  0.275196D+01  0.161962D+01
      5   0.494910D+01  0.290807D+01  0.372354D+01  0.550905D+01  0.216252D+01
      6   0.303390D+01  0.154241D+01  0.234013D+01  0.605550D+01  0.185153D+01
               161           162           163           164           165 
      1  -0.815609D+00 -0.400343D+00 -0.564000D+01  0.798293D+01  0.193308D+01
      2   0.169544D+01  0.162422D+01  0.673803D+01 -0.978720D+01 -0.124219D+01
      3  -0.879830D+00 -0.122387D+01 -0.109802D+01  0.180427D+01 -0.690887D+00
      4   0.302635D+01  0.342879D+01 -0.500865D+01  0.668286D+01  0.101736D+01
      5   0.245034D+01  0.735746D+00 -0.441013D+00  0.701954D+00  0.911479D+00
      6   0.320704D+01  0.936361D+00  0.187541D+01 -0.288883D+01 -0.264195D+01
               166           167           168           169           170 
      1   0.793228D+01 -0.287687D+02 -0.473816D+01  0.130156D+01 -0.402950D+01
      2  -0.100618D+02  0.378265D+02  0.421411D+01 -0.157013D+01  0.439155D+01
      3   0.212947D+01 -0.905777D+01  0.524048D+00  0.268578D+00 -0.362046D+00
      4   0.556442D+01 -0.247290D+01 -0.142613D+00  0.105923D+01 -0.100929D+01
      5   0.374092D+00  0.594453D+00 -0.173511D+00  0.768929D+00 -0.686786D+00
      6  -0.227538D+01  0.781338D+01  0.684584D+01 -0.100685D+01  0.348799D+01
               171 
      1  -0.220710D+01
      2   0.263310D+01
      3  -0.426000D+00
      4  -0.190398D+01
      5  -0.835734D+00
      6   0.206940D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:01:25 2021, MaxMem=  5368709120 cpu:            7572.2 elap:             949.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46272 -10.49729 -10.45291 -10.44756 -10.44698
 Alpha  occ. eigenvalues --  -10.44651 -10.44593 -10.44372 -10.43325  -1.14889
 Alpha  occ. eigenvalues --   -0.99988  -0.91306  -0.88106  -0.85898  -0.76941
 Alpha  occ. eigenvalues --   -0.72953  -0.70995  -0.65605  -0.60511  -0.58765
 Alpha  occ. eigenvalues --   -0.57519  -0.55847  -0.54596  -0.53585  -0.49941
 Alpha  occ. eigenvalues --   -0.49384  -0.48379  -0.47359  -0.45077  -0.42895
 Alpha  occ. eigenvalues --   -0.40029  -0.35568  -0.34711
 Alpha virt. eigenvalues --    0.04401   0.05606   0.06015   0.06350   0.06908
 Alpha virt. eigenvalues --    0.07899   0.08585   0.09142   0.10494   0.12607
 Alpha virt. eigenvalues --    0.13148   0.14975   0.15455   0.17223   0.17382
 Alpha virt. eigenvalues --    0.18649   0.19406   0.20000   0.21273   0.21444
 Alpha virt. eigenvalues --    0.22442   0.22859   0.23372   0.23949   0.26836
 Alpha virt. eigenvalues --    0.27097   0.27482   0.27660   0.29452   0.29644
 Alpha virt. eigenvalues --    0.30056   0.31146   0.31454   0.31731   0.32517
 Alpha virt. eigenvalues --    0.33087   0.33931   0.34739   0.35311   0.36434
 Alpha virt. eigenvalues --    0.36915   0.37494   0.38449   0.38500   0.38790
 Alpha virt. eigenvalues --    0.39249   0.39760   0.40494   0.40906   0.41739
 Alpha virt. eigenvalues --    0.41927   0.42875   0.43494   0.43625   0.44074
 Alpha virt. eigenvalues --    0.44329   0.44948   0.45455   0.46400   0.46690
 Alpha virt. eigenvalues --    0.47025   0.47402   0.47874   0.48460   0.48765
 Alpha virt. eigenvalues --    0.49917   0.50308   0.51848   0.52515   0.52878
 Alpha virt. eigenvalues --    0.54034   0.54576   0.55169   0.56138   0.56376
 Alpha virt. eigenvalues --    0.57041   0.58690   0.58770   0.59621   0.60489
 Alpha virt. eigenvalues --    0.60981   0.62474   0.63027   0.64200   0.64829
 Alpha virt. eigenvalues --    0.66739   0.66991   0.67883   0.68433   0.68835
 Alpha virt. eigenvalues --    0.70321   0.71248   0.72032   0.72857   0.73533
 Alpha virt. eigenvalues --    0.74356   0.76029   0.77356   0.78509   0.78960
 Alpha virt. eigenvalues --    0.80992   0.81269   0.81901   0.83101   0.83841
 Alpha virt. eigenvalues --    0.85914   0.87449   0.87900   0.89063   0.98205
 Alpha virt. eigenvalues --    0.98986   1.00984   1.02444   1.03728   1.03885
 Alpha virt. eigenvalues --    1.04693   1.06107   1.06360   1.07615   1.09417
 Alpha virt. eigenvalues --    1.09873   1.10098   1.12844   1.13500   1.14971
 Alpha virt. eigenvalues --    1.15108   1.17488   1.18275   1.18513   1.19856
 Alpha virt. eigenvalues --    1.21750   1.23601   1.26229   1.27427   1.27984
 Alpha virt. eigenvalues --    1.29282   1.30120   1.32224   1.32824   1.35572
 Alpha virt. eigenvalues --    1.37233   1.40831   1.42660   1.44148   1.44990
 Alpha virt. eigenvalues --    1.47281   1.50775   1.56062   1.57104   1.59397
 Alpha virt. eigenvalues --    1.62908   1.63790   1.67064   1.67857   1.68827
 Alpha virt. eigenvalues --    1.70820   1.73029   1.73597   1.75815   1.78355
 Alpha virt. eigenvalues --    1.79647   1.83451   1.87737   1.87860   1.90561
 Alpha virt. eigenvalues --    1.90961   1.91170   1.94685   1.96967   1.97444
 Alpha virt. eigenvalues --    1.99141   1.99824   2.01860   2.04721   2.06568
 Alpha virt. eigenvalues --    2.07794   2.10012   2.10375   2.12464   2.13224
 Alpha virt. eigenvalues --    2.14510   2.14893   2.17867   2.18733   2.18897
 Alpha virt. eigenvalues --    2.24816   2.26058   2.27263   2.29799   2.32352
 Alpha virt. eigenvalues --    2.36791   2.37708   2.40217   2.43434   2.45338
 Alpha virt. eigenvalues --    2.47765   2.48217   2.49136   2.50332   2.52787
 Alpha virt. eigenvalues --    2.54672   2.57748   2.59080   2.62077   2.65465
 Alpha virt. eigenvalues --    2.68793   2.69706   2.73451   2.78662   2.83455
 Alpha virt. eigenvalues --    2.92116   2.93028   2.94448   2.96879   3.00091
 Alpha virt. eigenvalues --    3.05301   3.09707   3.10466   3.15669   3.18079
 Alpha virt. eigenvalues --    3.19975   3.22415   3.24552   3.28517   3.30723
 Alpha virt. eigenvalues --    3.32293   3.41393   3.62175   3.78449   4.00184
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.019974   0.234625   0.226902  -0.010932  -0.022619  -0.034820
     2  C    0.234625   6.135443   0.071704   0.042758   0.407167  -0.319014
     3  H    0.226902   0.071704   0.557462   0.000197  -0.022801  -0.064303
     4  H   -0.010932   0.042758   0.000197   1.029545  -0.057019  -0.002704
     5  C   -0.022619   0.407167  -0.022801  -0.057019   4.389970   0.041394
     6  C   -0.034820  -0.319014  -0.064303  -0.002704   0.041394   9.180940
     7  H   -0.024557   0.204618  -0.007854   0.000861   0.259254  -0.042025
     8  H    0.014016   0.073535  -0.002699  -0.041642   0.276539  -0.025501
     9  H    0.001496   0.021337   0.000588  -0.017357   0.309403   0.026311
    10  C   -0.020210  -0.436757   0.027098   0.112064  -0.155891  -0.329490
    11  C   -0.002920  -0.003967   0.001140  -0.000345   0.029623   0.496809
    12  C   -0.000125   0.056954  -0.001354  -0.004512   0.004950  -0.152787
    13  C   -0.001730   0.079849  -0.000429  -0.003522  -0.005704   0.374933
    14  C   -0.003053  -0.459207  -0.023433   0.025993   0.037590  -0.508761
    15  H   -0.003688  -0.295218   0.009449   0.045567  -0.168525  -1.309089
    16  H   -0.000076   0.006401  -0.000283  -0.000569   0.004208  -0.023351
    17  H    0.000228  -0.001404   0.000098   0.000216  -0.000496   0.163120
    18  H   -0.002722   0.001541  -0.000373  -0.001765   0.000655   0.080182
    19  H    0.039742  -0.215183  -0.011858   0.009581   0.001218  -0.868731
               7          8          9         10         11         12
     1  O   -0.024557   0.014016   0.001496  -0.020210  -0.002920  -0.000125
     2  C    0.204618   0.073535   0.021337  -0.436757  -0.003967   0.056954
     3  H   -0.007854  -0.002699   0.000588   0.027098   0.001140  -0.001354
     4  H    0.000861  -0.041642  -0.017357   0.112064  -0.000345  -0.004512
     5  C    0.259254   0.276539   0.309403  -0.155891   0.029623   0.004950
     6  C   -0.042025  -0.025501   0.026311  -0.329490   0.496809  -0.152787
     7  H    0.747003   0.037157  -0.132982  -0.046329   0.003888   0.000351
     8  H    0.037157   0.771495  -0.164784  -0.055312   0.007208   0.000524
     9  H   -0.132982  -0.164784   1.109047   0.042873  -0.001750  -0.000328
    10  C   -0.046329  -0.055312   0.042873   8.222057  -0.565005   0.499760
    11  C    0.003888   0.007208  -0.001750  -0.565005   7.374153  -0.127886
    12  C    0.000351   0.000524  -0.000328   0.499760  -0.127886   6.719549
    13  C   -0.001040  -0.000232  -0.000113  -0.305413   0.502871  -0.265490
    14  C   -0.011673  -0.005066   0.003813   0.056124  -0.236573   0.415141
    15  H   -0.051304  -0.067632   0.037527  -0.136930  -0.732917  -0.068097
    16  H    0.000008  -0.000059  -0.000148  -0.325379  -0.095697  -0.469480
    17  H    0.000016  -0.000025   0.000004  -0.081114  -0.282557   0.120859
    18  H    0.000046   0.000054  -0.000006   0.211857  -0.100109  -0.489245
    19  H   -0.002449  -0.000675  -0.000553  -0.040266   0.215119  -0.030886
              13         14         15         16         17         18
     1  O   -0.001730  -0.003053  -0.003688  -0.000076   0.000228  -0.002722
     2  C    0.079849  -0.459207  -0.295218   0.006401  -0.001404   0.001541
     3  H   -0.000429  -0.023433   0.009449  -0.000283   0.000098  -0.000373
     4  H   -0.003522   0.025993   0.045567  -0.000569   0.000216  -0.001765
     5  C   -0.005704   0.037590  -0.168525   0.004208  -0.000496   0.000655
     6  C    0.374933  -0.508761  -1.309089  -0.023351   0.163120   0.080182
     7  H   -0.001040  -0.011673  -0.051304   0.000008   0.000016   0.000046
     8  H   -0.000232  -0.005066  -0.067632  -0.000059  -0.000025   0.000054
     9  H   -0.000113   0.003813   0.037527  -0.000148   0.000004  -0.000006
    10  C   -0.305413   0.056124  -0.136930  -0.325379  -0.081114   0.211857
    11  C    0.502871  -0.236573  -0.732917  -0.095697  -0.282557  -0.100109
    12  C   -0.265490   0.415141  -0.068097  -0.469480   0.120859  -0.489245
    13  C    7.457484  -0.807387   0.211245  -0.045027  -0.335394  -0.052603
    14  C   -0.807387   7.782823   0.058534   0.150994  -0.022342  -0.293421
    15  H    0.211245   0.058534   3.500645  -0.697503   0.068518  -0.022680
    16  H   -0.045027   0.150994  -0.697503   2.627007  -0.572842   0.065148
    17  H   -0.335394  -0.022342   0.068518  -0.572842   2.067749  -0.529806
    18  H   -0.052603  -0.293421  -0.022680   0.065148  -0.529806   2.435065
    19  H   -0.311707   0.080071   0.052641  -0.020129   0.055185  -0.499118
              19
     1  O    0.039742
     2  C   -0.215183
     3  H   -0.011858
     4  H    0.009581
     5  C    0.001218
     6  C   -0.868731
     7  H   -0.002449
     8  H   -0.000675
     9  H   -0.000553
    10  C   -0.040266
    11  C    0.215119
    12  C   -0.030886
    13  C   -0.311707
    14  C    0.080071
    15  H    0.052641
    16  H   -0.020129
    17  H    0.055185
    18  H   -0.499118
    19  H    2.071363
 Mulliken charges:
               1
     1  O   -0.409530
     2  C    0.394817
     3  H    0.240750
     4  H   -0.126415
     5  C    0.671086
     6  C   -0.683115
     7  H    0.067011
     8  H    0.183099
     9  H   -0.234380
    10  C   -0.673737
    11  C   -0.481084
    12  C   -0.207898
    13  C   -0.490591
    14  C   -0.240167
    15  H    0.569455
    16  H    0.396779
    17  H    0.349987
    18  H    0.197298
    19  H    0.476635
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.168781
     2  C    0.268402
     5  C    0.686815
     6  C   -0.683115
    10  C   -0.104282
    11  C   -0.084305
    12  C    0.142089
    13  C   -0.293293
    14  C    0.236468
 Electronic spatial extent (au):  <R**2>=           1279.6901
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.8593    Y=              1.3050    Z=              0.3781  Tot=              1.6076
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.7105   YY=            -52.7530   ZZ=            -54.4565
   XY=              4.1377   XZ=             -0.4791   YZ=              0.2701
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0705   YY=              0.8870   ZZ=             -0.8165
   XY=              4.1377   XZ=             -0.4791   YZ=              0.2701
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.5994  YYY=              0.4525  ZZZ=              6.1097  XYY=             -8.4444
  XXY=              8.8427  XXZ=              1.2340  XZZ=             15.0775  YZZ=             -4.8658
  YYZ=              0.5988  XYZ=             -1.8414
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1158.1169 YYYY=           -420.3364 ZZZZ=            -91.4021 XXXY=             20.2864
 XXXZ=            -11.7123 YYYX=              1.8871 YYYZ=              1.5352 ZZZX=             11.5630
 ZZZY=             -7.9706 XXYY=           -275.9576 XXZZ=           -217.4633 YYZZ=            -89.5777
 XXYZ=              2.9296 YYXZ=             -0.3778 ZZXY=             -8.8893
 N-N= 4.252302688959D+02 E-N=-1.744846071168D+03  KE= 3.810345166876D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:01:26 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.94882136D-01 4.52113215D-01 1.66017669D-01
 Polarizability= 1.20304629D+02 1.44257949D+00 1.00119864D+02
                -3.12062470D+00 2.77414581D+00 6.39036978D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.5136    1.5107        0.6755    0.6762
 2     -1.5136   -1.5107       -1.4056   -1.4059      -10.6671  -10.6402
 3     -0.6755   -0.6762       28.9279   28.9158        1.4062    1.4059
 4      1.4056    1.4059       -0.0000    0.0000       -0.6738   -0.6762
 5    -18.2608  -18.2757        0.6738    0.6762        1.5121    1.5107
 6     -1.4062   -1.4059       -1.5121   -1.5107       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.5320   -4.5320        2.0287    2.0287
 2      4.2177    4.2177       -0.0000    0.0000        2.0287    2.0287
 3      4.2177    4.2177       -4.5320   -4.5320        0.0000    0.0000
 4     -4.5320   -4.5320       -4.2177   -4.2177      -31.9205  -31.9205
 5     -2.0287   -2.0287       86.7475   86.7475        4.2177    4.2177
 6    -54.8270  -54.8270        2.0287    2.0287        4.5320    4.5320
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0591    0.0000       -6.2143   -6.0426       -2.5244   -2.7050
 2      6.0356    6.0426        5.4372    5.6236       41.8700   42.5606
 3      2.9615    2.7050     -115.5032 -115.6633       -5.6798   -5.6236
 4     -5.1388   -5.6236       -0.0718    0.0000        2.7714    2.7050
 5     73.4642   73.1027       -3.0896   -2.7050       -5.8954   -6.0426
 6      5.5580    5.6236        6.2373    6.0426       -0.0651    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1699    0.0000        4.6691    5.0694       -8.1595   -8.3332
 2     -4.9946   -5.0694       42.6739   43.0762       15.7991   15.8469
 3      8.7972    8.3332       10.7724   10.8485      -43.8764  -43.0762
 4    -43.0966  -43.0762        0.1990    0.0000        8.2405    8.3332
 5    -25.7222  -26.6954       -9.3128   -8.3332        4.8604    5.0694
 6     43.1720   43.0762       -4.8982   -5.0694        0.0388    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.8015   -8.7612       -9.2100   -9.7998        8.5683    8.7756
 2    -81.1087  -80.9364       -4.6606   -5.1063        8.4555    8.7756
 3    -81.0746  -80.9364       -9.3331   -9.7998       14.7606   15.1407
 4     -4.9343   -4.6935       72.1811   72.1752       21.5613   21.5159
 5      6.4192    6.3652       22.4574   22.5524      -72.3679  -72.1752
 6    -42.4534  -44.0684       -8.0274   -6.3652        4.5968    4.6935
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0020   -0.0006   -0.0002    0.0003    1.9050    4.5380
 Low frequencies ---   26.6731  145.4104  220.0769
 Diagonal vibrational polarizability:
       51.5011210       9.0039718      35.2628008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     26.6539               145.4100               220.0768
 Red. masses --      3.6345                 3.5574                 3.4762
 Frc consts  --      0.0015                 0.0443                 0.0992
 IR Inten    --      1.0683                 0.5434                 1.1219
 RamAct Fr= 1--      2.3232                 4.1970                 0.1177
  Dep-P Fr= 1--      0.7485                 0.7375                 0.4179
  Dep-U Fr= 1--      0.8562                 0.8489                 0.5895
 Alpha2 Fr= 1--      0.0001                 0.0009                 0.0008
 Beta2  Fr= 1--      0.3315                 0.5938                 0.0116
 AlphaG Fr= 1--      0.0000                 0.0001                 0.0018
 Gamma2 Fr= 1--      0.6992                 0.3815                -0.0865
 Delta2 Fr= 1--      0.5321                 0.2843                -0.0121
 Raman1 Fr= 1--       9.293                 16.788                  0.471
 ROA1   Fr= 1--      84.149                 45.717                 -8.689
 CID1   Fr= 1--       9.055                  2.723                -18.451
 Raman2 Fr= 1--       3.978                  7.126                  0.139
 ROA2   Fr= 1--      12.524                  6.881                 -1.979
 CID2   Fr= 1--       3.148                  0.966                -14.260
 Raman3 Fr= 1--       7.956                 14.251                  0.278
 ROA3   Fr= 1--      84.149                 45.717                 -8.689
 CID3   Fr= 1--      10.577                  3.208                -31.301
 RC180  Fr= 1--       0.712                  0.698                  0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.10   0.23     0.16  -0.02  -0.10    -0.17  -0.04  -0.01
     2   6    -0.00  -0.05   0.01    -0.02  -0.01   0.04    -0.02   0.04   0.00
     3   1    -0.08   0.24   0.18     0.43   0.00  -0.02    -0.14   0.00  -0.00
     4   1    -0.00  -0.25   0.08    -0.20   0.02  -0.01    -0.12  -0.00  -0.00
     5   6     0.01  -0.01  -0.24    -0.01   0.01  -0.10     0.23  -0.10  -0.07
     6   6     0.00  -0.02  -0.01    -0.01  -0.03   0.22    -0.00   0.15   0.05
     7   1     0.06   0.16  -0.29     0.19  -0.00  -0.06     0.48  -0.12  -0.02
     8   1    -0.03  -0.13  -0.35    -0.18   0.01  -0.04     0.23  -0.03   0.01
     9   1     0.00  -0.02  -0.25    -0.02   0.04  -0.33     0.18  -0.27  -0.28
    10   6     0.03  -0.03   0.14    -0.01  -0.02   0.18    -0.09   0.11   0.05
    11   6     0.03  -0.02   0.15    -0.03   0.02  -0.04    -0.12  -0.04  -0.00
    12   6     0.01   0.00   0.00    -0.06   0.05  -0.21    -0.02  -0.10  -0.04
    13   6    -0.02   0.01  -0.15    -0.05   0.02  -0.06     0.10  -0.05  -0.00
    14   6    -0.02   0.00  -0.16    -0.03  -0.02   0.17     0.10   0.09   0.05
    15   1     0.05  -0.05   0.25     0.01  -0.04   0.26    -0.16   0.16   0.07
    16   1     0.05  -0.03   0.27    -0.02   0.03  -0.12    -0.22  -0.09  -0.02
    17   1     0.01   0.01   0.00    -0.08   0.08  -0.45    -0.02  -0.19  -0.09
    18   1    -0.04   0.03  -0.27    -0.07   0.04  -0.15     0.19  -0.11  -0.02
    19   1    -0.04   0.01  -0.27    -0.03  -0.03   0.23     0.20   0.14   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.2021               290.0679               343.3586
 Red. masses --      1.1310                 1.0536                 3.7616
 Frc consts  --      0.0512                 0.0522                 0.2613
 IR Inten    --     61.2226                45.2618                19.5794
 RamAct Fr= 1--      0.3590                 0.1442                 3.0543
  Dep-P Fr= 1--      0.6618                 0.6799                 0.1326
  Dep-U Fr= 1--      0.7965                 0.8095                 0.2341
 Alpha2 Fr= 1--      0.0006                 0.0002                 0.0493
 Beta2  Fr= 1--      0.0477                 0.0194                 0.1192
 AlphaG Fr= 1--      0.0032                -0.0031                -0.0225
 Gamma2 Fr= 1--      0.2573                 0.0950                -0.0443
 Delta2 Fr= 1--      0.0914                 0.0869                -0.0056
 Raman1 Fr= 1--       1.436                  0.577                 12.217
 ROA1   Fr= 1--      27.629                 11.900                 -4.433
 CID1   Fr= 1--      19.241                 20.637                 -0.363
 Raman2 Fr= 1--       0.572                  0.233                  1.430
 ROA2   Fr= 1--       5.445                  1.585                 -1.018
 CID2   Fr= 1--       9.521                  6.789                 -0.712
 Raman3 Fr= 1--       1.144                  0.467                  2.860
 ROA3   Fr= 1--      27.629                 11.900                 -4.433
 CID3   Fr= 1--      24.157                 25.494                 -1.550
 RC180  Fr= 1--       0.593                  0.619                 -0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.00   0.02    -0.01  -0.03  -0.03     0.26   0.08   0.01
     2   6     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.05   0.02   0.04
     3   1     0.65   0.42   0.15     0.51   0.27   0.09    -0.25  -0.32  -0.08
     4   1     0.02  -0.03   0.02    -0.01  -0.00   0.01     0.01   0.04   0.03
     5   6     0.02  -0.03   0.03     0.01  -0.01   0.00     0.22  -0.06   0.03
     6   6    -0.01   0.00  -0.03    -0.01   0.02   0.01    -0.03  -0.02   0.02
     7   1     0.25  -0.25   0.15    -0.33   0.26  -0.16     0.24   0.03  -0.00
     8   1    -0.19   0.11   0.27     0.34  -0.16  -0.29     0.47  -0.03  -0.04
     9   1     0.00   0.04  -0.28     0.03  -0.14   0.45     0.18  -0.33   0.13
    10   6    -0.02   0.00  -0.05    -0.02   0.01   0.01    -0.10  -0.03  -0.07
    11   6    -0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.11  -0.01  -0.03
    12   6    -0.01  -0.00   0.04    -0.01  -0.01   0.00    -0.14  -0.00   0.09
    13   6    -0.02   0.01  -0.01     0.00  -0.00  -0.01    -0.13   0.02  -0.01
    14   6    -0.02   0.01  -0.04     0.00   0.01   0.00    -0.11   0.02  -0.08
    15   1    -0.02   0.01  -0.06    -0.02   0.02  -0.00    -0.11  -0.01  -0.12
    16   1    -0.01   0.00   0.01    -0.03  -0.01   0.02    -0.08   0.01  -0.06
    17   1    -0.01  -0.01   0.09    -0.01  -0.02   0.00    -0.13  -0.00   0.20
    18   1    -0.02   0.00   0.00     0.01  -0.01  -0.02    -0.11   0.01  -0.04
    19   1    -0.02   0.00  -0.04     0.02   0.02   0.01    -0.18  -0.00  -0.16
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.8326               413.9251               473.9878
 Red. masses --      3.0517                 2.9294                 3.6112
 Frc consts  --      0.2831                 0.2957                 0.4780
 IR Inten    --      1.1056                 0.0975                10.5469
 RamAct Fr= 1--      0.5413                 0.0335                 1.3008
  Dep-P Fr= 1--      0.6950                 0.3910                 0.6649
  Dep-U Fr= 1--      0.8201                 0.5622                 0.7987
 Alpha2 Fr= 1--      0.0005                 0.0003                 0.0020
 Beta2  Fr= 1--      0.0740                 0.0031                 0.1732
 AlphaG Fr= 1--      0.0029                 0.0037                 0.0009
 Gamma2 Fr= 1--     -0.5547                 0.2373                 0.3659
 Delta2 Fr= 1--     -0.0658                 0.0352                 0.1943
 Raman1 Fr= 1--       2.165                  0.134                  5.203
 ROA1   Fr= 1--     -55.357                 23.911                 41.342
 CID1   Fr= 1--     -25.567                178.185                  7.946
 Raman2 Fr= 1--       0.888                  0.038                  2.078
 ROA2   Fr= 1--     -12.787                  5.414                  7.227
 CID2   Fr= 1--     -14.403                143.533                  3.478
 Raman3 Fr= 1--       1.776                  0.075                  4.156
 ROA3   Fr= 1--     -55.357                 23.911                 41.342
 CID3   Fr= 1--     -31.177                316.943                  9.948
 RC180  Fr= 1--       0.640                  0.124                  0.597
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.18  -0.01    -0.01   0.02  -0.00     0.17   0.03   0.06
     2   6    -0.02   0.08  -0.15    -0.01   0.01  -0.01     0.03  -0.15  -0.14
     3   1    -0.07   0.38  -0.04     0.06   0.08   0.01    -0.12   0.01  -0.02
     4   1     0.07   0.07  -0.13    -0.01   0.00  -0.01     0.05  -0.27  -0.09
     5   6     0.12  -0.03   0.06     0.00  -0.01   0.01    -0.13  -0.18   0.02
     6   6    -0.02  -0.08  -0.12    -0.00  -0.00  -0.02     0.01   0.11  -0.14
     7   1     0.08  -0.20   0.12    -0.01  -0.02   0.01    -0.38  -0.42   0.07
     8   1     0.38   0.17   0.18     0.04   0.01   0.01    -0.12  -0.08   0.14
     9   1     0.08  -0.25   0.16     0.00  -0.04   0.04    -0.08  -0.02   0.20
    10   6     0.04  -0.10   0.05     0.03  -0.03   0.21    -0.05   0.10   0.03
    11   6     0.05  -0.03   0.08    -0.01   0.02  -0.19    -0.07   0.00   0.08
    12   6    -0.02   0.03  -0.12     0.00   0.00  -0.02    -0.05  -0.01  -0.10
    13   6    -0.05  -0.02   0.05     0.02  -0.03   0.22     0.05   0.02   0.06
    14   6    -0.04  -0.10   0.10    -0.02   0.01  -0.20     0.05   0.12   0.04
    15   1     0.10  -0.14   0.12     0.06  -0.06   0.47    -0.13   0.15   0.14
    16   1     0.11  -0.02   0.19    -0.03   0.05  -0.42    -0.12  -0.04   0.20
    17   1    -0.03   0.10  -0.26     0.00   0.01  -0.05    -0.06  -0.07  -0.21
    18   1    -0.09   0.00   0.12     0.04  -0.05   0.47     0.14  -0.04   0.16
    19   1    -0.08  -0.14   0.25    -0.04   0.04  -0.41     0.10   0.13   0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    499.0162               612.8037               638.1278
 Red. masses --      3.4016                 3.0190                 6.3136
 Frc consts  --      0.4991                 0.6680                 1.5147
 IR Inten    --     11.6171                18.1886                 0.3886
 RamAct Fr= 1--      4.5013                 1.0328                 4.4245
  Dep-P Fr= 1--      0.1673                 0.7458                 0.7500
  Dep-U Fr= 1--      0.2867                 0.8544                 0.8571
 Alpha2 Fr= 1--      0.0666                 0.0001                 0.0000
 Beta2  Fr= 1--      0.2150                 0.1471                 0.6321
 AlphaG Fr= 1--      0.0301                 0.0001                 0.0001
 Gamma2 Fr= 1--     -0.3910                -0.2115                -0.0045
 Delta2 Fr= 1--     -0.1408                 0.0475                 0.0126
 Raman1 Fr= 1--      18.005                  4.131                 17.698
 ROA1   Fr= 1--     -42.043                -18.785                 -0.029
 CID1   Fr= 1--      -2.335                 -4.547                 -0.002
 Raman2 Fr= 1--       2.581                  1.765                  7.585
 ROA2   Fr= 1--      -8.258                 -5.456                 -0.208
 CID2   Fr= 1--      -3.200                 -3.091                 -0.027
 Raman3 Fr= 1--       5.161                  3.530                 15.170
 ROA3   Fr= 1--     -42.043                -18.785                 -0.029
 CID3   Fr= 1--      -8.146                 -5.322                 -0.002
 RC180  Fr= 1--      -0.427                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.16   0.02     0.07  -0.02  -0.01    -0.01  -0.01   0.01
     2   6     0.20  -0.00   0.04    -0.14   0.05   0.17     0.02  -0.00  -0.03
     3   1     0.08  -0.10   0.05     0.15  -0.28   0.06    -0.04   0.03  -0.01
     4   1     0.37   0.03   0.07    -0.10   0.11   0.16     0.03  -0.02  -0.02
     5   6     0.09   0.17  -0.02    -0.01  -0.01   0.01     0.00  -0.02  -0.01
     6   6     0.07   0.00  -0.18    -0.14   0.01  -0.11     0.01  -0.14  -0.00
     7   1     0.09   0.30  -0.07     0.27   0.23  -0.04    -0.03  -0.05  -0.00
     8   1    -0.18  -0.01  -0.12     0.05  -0.11  -0.12     0.01  -0.01   0.01
     9   1     0.13   0.43  -0.12    -0.07  -0.26  -0.16     0.01  -0.01   0.02
    10   6    -0.04  -0.07   0.00    -0.03   0.07  -0.08    -0.24  -0.21   0.02
    11   6    -0.05  -0.05   0.08     0.02   0.08   0.11    -0.24   0.24   0.03
    12   6    -0.15   0.02  -0.10     0.12   0.02  -0.14    -0.01   0.14   0.04
    13   6    -0.05   0.05   0.09     0.03  -0.07   0.08     0.26   0.23  -0.01
    14   6    -0.03   0.05   0.01    -0.00  -0.09  -0.09     0.22  -0.21  -0.03
    15   1    -0.10  -0.03   0.18     0.11  -0.02   0.12    -0.11  -0.29  -0.04
    16   1     0.04  -0.03   0.24    -0.04   0.00   0.42    -0.09   0.33  -0.03
    17   1    -0.16   0.03  -0.15     0.12  -0.01  -0.07    -0.03  -0.28  -0.03
    18   1     0.02  -0.01   0.26    -0.04  -0.04   0.39     0.13   0.32  -0.05
    19   1    -0.11  -0.02   0.19     0.11  -0.06   0.13     0.07  -0.29  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.5879               750.8529               792.4071
 Red. masses --      1.7856                 3.0320                 2.0928
 Frc consts  --      0.5342                 1.0071                 0.7742
 IR Inten    --     41.6492                22.1313                 9.8022
 RamAct Fr= 1--      0.0425                11.3833                 4.8399
  Dep-P Fr= 1--      0.4197                 0.0658                 0.1795
  Dep-U Fr= 1--      0.5913                 0.1236                 0.3044
 Alpha2 Fr= 1--      0.0003                 0.2165                 0.0694
 Beta2  Fr= 1--      0.0042                 0.2344                 0.2456
 AlphaG Fr= 1--      0.0015                 0.0427                -0.0091
 Gamma2 Fr= 1--     -0.0235                -0.4528                -0.5939
 Delta2 Fr= 1--      0.0047                -0.1808                -0.0321
 Raman1 Fr= 1--       0.170                 45.533                 19.360
 ROA1   Fr= 1--      -2.103                -49.255                -58.043
 CID1   Fr= 1--     -12.362                 -1.082                 -2.998
 Raman2 Fr= 1--       0.050                  2.813                  2.947
 ROA2   Fr= 1--      -0.601                 -9.421                -13.997
 CID2   Fr= 1--     -11.950                 -3.349                 -4.750
 Raman3 Fr= 1--       0.101                  5.626                  5.894
 ROA3   Fr= 1--      -2.103                -49.255                -58.043
 CID3   Fr= 1--     -20.906                 -8.755                 -9.849
 RC180  Fr= 1--       0.183                 -0.753                 -0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.07   0.04    -0.01  -0.02   0.02
     2   6    -0.00  -0.00   0.00     0.08  -0.03  -0.08     0.07  -0.04  -0.09
     3   1    -0.00  -0.03  -0.00    -0.02   0.04   0.01    -0.10   0.14  -0.03
     4   1     0.04   0.01   0.01     0.17  -0.10  -0.04    -0.08  -0.11  -0.09
     5   6    -0.00  -0.00  -0.00     0.07   0.08  -0.00     0.05   0.05  -0.02
     6   6    -0.02   0.01  -0.10    -0.11   0.02  -0.09    -0.00  -0.02   0.20
     7   1     0.02   0.02  -0.00    -0.06  -0.02   0.01    -0.19  -0.16   0.02
     8   1    -0.00  -0.01  -0.01     0.01   0.12   0.06     0.02   0.15   0.11
     9   1    -0.00  -0.01  -0.00     0.11   0.25   0.07     0.11   0.26   0.15
    10   6     0.00   0.01   0.08    -0.04   0.13   0.09    -0.03   0.05  -0.06
    11   6    -0.02   0.03  -0.14    -0.05   0.15   0.02    -0.03   0.06   0.01
    12   6     0.02  -0.01   0.07     0.15  -0.02   0.07     0.04   0.01  -0.12
    13   6    -0.02   0.00  -0.14    -0.07  -0.14  -0.02    -0.03  -0.06   0.00
    14   6     0.00  -0.02   0.07    -0.05  -0.13   0.06    -0.03  -0.04  -0.07
    15   1     0.06  -0.05   0.51     0.03   0.10  -0.14     0.00   0.03   0.00
    16   1    -0.00  -0.02   0.22    -0.29   0.10  -0.40    -0.05  -0.02   0.46
    17   1     0.07  -0.07   0.56     0.10   0.03  -0.38     0.09  -0.06   0.48
    18   1     0.00  -0.03   0.20    -0.27   0.01  -0.38    -0.06  -0.06   0.42
    19   1     0.06  -0.05   0.49     0.04  -0.06  -0.10    -0.00  -0.03  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    860.7018               902.9343               932.1247
 Red. masses --      1.2471                 2.4014                 1.3999
 Frc consts  --      0.5443                 1.1535                 0.7166
 IR Inten    --      0.1088                15.6494                 2.4269
 RamAct Fr= 1--      0.6419                 1.6080                 0.3382
  Dep-P Fr= 1--      0.6463                 0.6989                 0.6989
  Dep-U Fr= 1--      0.7851                 0.8228                 0.8227
 Alpha2 Fr= 1--      0.0012                 0.0014                 0.0003
 Beta2  Fr= 1--      0.0840                 0.2205                 0.0464
 AlphaG Fr= 1--     -0.0004                -0.0013                 0.0003
 Gamma2 Fr= 1--      0.0042                 1.3009                 0.9087
 Delta2 Fr= 1--     -0.0285                 1.1543                -0.2492
 Raman1 Fr= 1--       2.568                  6.432                  1.353
 ROA1   Fr= 1--      -0.511                161.825                 79.262
 CID1   Fr= 1--      -0.199                 25.159                 58.596
 Raman2 Fr= 1--       1.008                  2.646                  0.556
 ROA2   Fr= 1--       0.328                 21.987                 23.803
 CID2   Fr= 1--       0.325                  8.310                 42.776
 Raman3 Fr= 1--       2.016                  5.292                  1.113
 ROA3   Fr= 1--      -0.511                161.825                 79.262
 CID3   Fr= 1--      -0.253                 30.579                 71.222
 RC180  Fr= 1--       0.570                  0.646                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.15  -0.10     0.01  -0.01   0.01
     2   6    -0.00   0.00  -0.00     0.16  -0.03   0.09    -0.01   0.01  -0.00
     3   1    -0.01  -0.01  -0.00    -0.05   0.09  -0.09     0.03  -0.02   0.02
     4   1    -0.00   0.00   0.00     0.23   0.18   0.03     0.10   0.04   0.01
     5   6    -0.00  -0.00   0.00     0.00  -0.17   0.06    -0.02   0.00   0.01
     6   6     0.00  -0.00   0.00     0.04  -0.00   0.01    -0.01   0.01  -0.07
     7   1     0.00   0.00  -0.00    -0.04   0.20  -0.09     0.09   0.07   0.00
     8   1     0.00   0.00   0.00    -0.47  -0.59  -0.24     0.03  -0.02  -0.03
     9   1    -0.00  -0.00  -0.01     0.06   0.22  -0.13    -0.05  -0.10  -0.07
    10   6     0.01  -0.01   0.07    -0.01   0.03   0.01     0.01  -0.01   0.11
    11   6     0.01  -0.01   0.07    -0.03   0.05   0.01    -0.00   0.00  -0.02
    12   6    -0.00   0.00  -0.01     0.02   0.00  -0.01    -0.01   0.01  -0.10
    13   6    -0.01   0.01  -0.08    -0.05  -0.05   0.00     0.01   0.00   0.02
    14   6    -0.01   0.01  -0.07    -0.01  -0.04  -0.00     0.01  -0.00   0.08
    15   1    -0.05   0.06  -0.50    -0.03   0.05  -0.03    -0.05   0.07  -0.58
    16   1    -0.04   0.05  -0.47    -0.08   0.03   0.01     0.01  -0.02   0.11
    17   1     0.00  -0.00   0.05     0.03   0.01   0.05     0.06  -0.07   0.59
    18   1     0.05  -0.06   0.52    -0.11  -0.01   0.02    -0.00   0.02  -0.14
    19   1     0.05  -0.04   0.45    -0.03  -0.04  -0.03    -0.05   0.05  -0.43
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.7824               983.3983              1023.4296
 Red. masses --      1.3342                 1.2569                 2.5037
 Frc consts  --      0.7393                 0.7162                 1.5450
 IR Inten    --      0.0462                 0.3964                21.0657
 RamAct Fr= 1--      0.0208                 0.0567                39.7672
  Dep-P Fr= 1--      0.4310                 0.6845                 0.0604
  Dep-U Fr= 1--      0.6023                 0.8127                 0.1140
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.7662
 Beta2  Fr= 1--      0.0021                 0.0077                 0.7554
 AlphaG Fr= 1--     -0.0016                 0.0004                 0.1567
 Gamma2 Fr= 1--     -0.1234                -0.1547                -1.8986
 Delta2 Fr= 1--      0.0365                 0.0804                -0.7331
 Raman1 Fr= 1--       0.083                  0.227                159.069
 ROA1   Fr= 1--     -10.677                -12.277               -205.721
 CID1   Fr= 1--    -128.576                -54.146                 -1.293
 Raman2 Fr= 1--       0.025                  0.092                  9.065
 ROA2   Fr= 1--      -3.253                 -4.356                -39.700
 CID2   Fr= 1--    -130.059                -47.279                 -4.380
 Raman3 Fr= 1--       0.050                  0.184                 18.130
 ROA3   Fr= 1--     -10.677                -12.277               -205.721
 CID3   Fr= 1--    -213.462                -66.627                -11.347
 RC180  Fr= 1--       0.205                  0.625                 -0.772
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.07  -0.05
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.09   0.10
     3   1    -0.01   0.00  -0.00     0.01   0.01   0.00     0.12  -0.26   0.04
     4   1    -0.01   0.00  -0.00     0.03   0.01  -0.00    -0.30  -0.31   0.11
     5   6     0.00  -0.00   0.00    -0.01  -0.00   0.01     0.11   0.02  -0.04
     6   6     0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.06   0.01  -0.05
     7   1    -0.01   0.00  -0.00     0.03   0.03   0.00    -0.29  -0.19  -0.02
     8   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.01    -0.12   0.09   0.14
     9   1     0.00   0.01  -0.01    -0.01  -0.03  -0.02     0.23   0.46   0.22
    10   6     0.01  -0.01   0.08     0.00   0.00   0.01    -0.09  -0.15   0.02
    11   6    -0.01   0.01  -0.11    -0.00   0.00  -0.03     0.02  -0.04  -0.01
    12   6     0.00  -0.00   0.05     0.01  -0.01   0.06     0.16  -0.01  -0.02
    13   6     0.00  -0.01   0.04    -0.01   0.01  -0.10     0.02   0.04  -0.00
    14   6    -0.01   0.01  -0.08     0.01  -0.01   0.08    -0.07   0.13   0.04
    15   1    -0.05   0.05  -0.48    -0.01   0.02  -0.11    -0.08  -0.15  -0.11
    16   1     0.07  -0.07   0.64     0.02  -0.03   0.27     0.03  -0.04  -0.00
    17   1    -0.03   0.04  -0.34    -0.04   0.04  -0.42     0.17  -0.01   0.01
    18   1    -0.02   0.02  -0.18     0.06  -0.07   0.64     0.02   0.05   0.01
    19   1     0.05  -0.04   0.39    -0.07   0.05  -0.53    -0.09   0.15  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.8371              1055.5359              1080.2475
 Red. masses --      2.9917                 2.2297                 2.4730
 Frc consts  --      1.8585                 1.4637                 1.7003
 IR Inten    --     10.5173                17.2428                30.4845
 RamAct Fr= 1--     12.2882                18.2623                 3.9590
  Dep-P Fr= 1--      0.0516                 0.0408                 0.5398
  Dep-U Fr= 1--      0.0982                 0.0783                 0.7011
 Alpha2 Fr= 1--      0.2418                 0.3687                 0.0160
 Beta2  Fr= 1--      0.2010                 0.2384                 0.4626
 AlphaG Fr= 1--     -0.0388                -0.0305                -0.0252
 Gamma2 Fr= 1--      0.8659                 0.4853                -0.0960
 Delta2 Fr= 1--      0.5660                 0.3114                -0.2015
 Raman1 Fr= 1--      49.153                 73.049                 15.836
 ROA1   Fr= 1--     101.236                 56.553                -15.661
 CID1   Fr= 1--       2.060                  0.774                 -0.989
 Raman2 Fr= 1--       2.412                  2.861                  5.551
 ROA2   Fr= 1--      16.253                  9.156                 -0.691
 CID2   Fr= 1--       6.737                  3.201                 -0.125
 Raman3 Fr= 1--       4.825                  5.721                 11.103
 ROA3   Fr= 1--     101.236                 56.553                -15.661
 CID3   Fr= 1--      20.983                  9.885                 -1.411
 RC180  Fr= 1--      -0.804                 -0.843                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.05   0.03     0.02  -0.03   0.02     0.03  -0.07   0.05
     2   6     0.05   0.05  -0.09    -0.00   0.01  -0.06     0.01   0.24  -0.01
     3   1    -0.11   0.23  -0.05    -0.10   0.19  -0.05     0.03  -0.06   0.06
     4   1     0.29   0.25  -0.10     0.04   0.13  -0.08    -0.11   0.18  -0.01
     5   6    -0.09  -0.00   0.04     0.01  -0.01   0.04     0.01  -0.11  -0.06
     6   6     0.06  -0.02   0.05    -0.04  -0.01   0.02     0.01   0.08  -0.01
     7   1     0.29   0.21   0.02     0.09   0.18  -0.01    -0.32  -0.26  -0.06
     8   1     0.12  -0.08  -0.13    -0.07  -0.14  -0.08    -0.20  -0.10   0.03
     9   1    -0.20  -0.42  -0.20    -0.00   0.01  -0.08     0.06   0.13   0.08
    10   6    -0.11  -0.17  -0.03    -0.04   0.07   0.01    -0.10  -0.07   0.00
    11   6    -0.03   0.08   0.01     0.02  -0.18  -0.02     0.05  -0.06  -0.01
    12   6     0.19  -0.02  -0.02     0.13  -0.02  -0.01     0.03   0.08   0.01
    13   6    -0.04  -0.07  -0.00     0.04   0.19   0.02    -0.06  -0.05  -0.00
    14   6    -0.09   0.21   0.01    -0.05  -0.05  -0.01     0.06  -0.06  -0.00
    15   1    -0.04  -0.22   0.07    -0.28   0.21   0.08    -0.33   0.07   0.04
    16   1    -0.03   0.08   0.01    -0.30  -0.36  -0.01     0.23   0.02  -0.02
    17   1     0.19  -0.04  -0.05     0.14  -0.05  -0.02     0.05   0.48   0.05
    18   1     0.00  -0.09  -0.01    -0.24   0.39   0.05    -0.26   0.07   0.04
    19   1    -0.05   0.22   0.11    -0.34  -0.20   0.05     0.29   0.06  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1087.6397              1130.7087              1185.6749
 Red. masses --      1.7013                 1.8254                 1.1184
 Frc consts  --      1.1858                 1.3750                 0.9264
 IR Inten    --     31.8936                 7.0848                 0.0607
 RamAct Fr= 1--      1.3114                 0.7393                 4.2803
  Dep-P Fr= 1--      0.3514                 0.6444                 0.7436
  Dep-U Fr= 1--      0.5200                 0.7838                 0.8529
 Alpha2 Fr= 1--      0.0115                 0.0014                 0.0005
 Beta2  Fr= 1--      0.1137                 0.0966                 0.6085
 AlphaG Fr= 1--     -0.0201                -0.0053                -0.0023
 Gamma2 Fr= 1--      0.0185                 0.4728                -0.0951
 Delta2 Fr= 1--      0.1971                -0.1188                -0.1503
 Raman1 Fr= 1--       5.245                  2.957                 17.121
 ROA1   Fr= 1--       8.079                 41.589                -13.940
 CID1   Fr= 1--       1.540                 14.064                 -0.814
 Raman2 Fr= 1--       1.364                  1.159                  7.302
 ROA2   Fr= 1--      -1.133                 12.298                 -1.081
 CID2   Fr= 1--      -0.831                 10.612                 -0.148
 Raman3 Fr= 1--       2.728                  2.318                 14.603
 ROA3   Fr= 1--       8.079                 41.589                -13.940
 CID3   Fr= 1--       2.962                 17.944                 -0.955
 RC180  Fr= 1--       0.040                  0.568                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.03   0.03     0.01  -0.04   0.04     0.00   0.00  -0.00
     2   6    -0.10  -0.03  -0.10    -0.01   0.18  -0.00    -0.01  -0.01  -0.00
     3   1    -0.18   0.33  -0.09     0.03  -0.03   0.04    -0.01   0.01  -0.00
     4   1    -0.23   0.13  -0.17    -0.09   0.18  -0.02    -0.04  -0.01  -0.01
     5   6     0.09  -0.00   0.10     0.02  -0.08  -0.04     0.00   0.00   0.01
     6   6    -0.11   0.00   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.00
     7   1     0.06   0.39  -0.05    -0.26  -0.18  -0.05     0.01   0.02   0.00
     8   1    -0.26  -0.31  -0.13    -0.18  -0.09   0.02    -0.00  -0.01  -0.01
     9   1     0.14   0.36  -0.10     0.08   0.18   0.06     0.00   0.01  -0.01
    10   6     0.00  -0.03  -0.01     0.09   0.00  -0.01     0.01  -0.01  -0.00
    11   6     0.04   0.00  -0.00    -0.04   0.05   0.01    -0.04  -0.02   0.00
    12   6    -0.05   0.01   0.01    -0.00  -0.06  -0.01     0.01   0.07   0.01
    13   6     0.03  -0.01  -0.01     0.04   0.03   0.00     0.04  -0.03  -0.01
    14   6     0.02   0.03   0.00    -0.09   0.02   0.01    -0.01  -0.01  -0.00
    15   1     0.13  -0.11  -0.01     0.38  -0.17  -0.06     0.10  -0.07  -0.02
    16   1     0.22   0.09  -0.02    -0.17  -0.01   0.01    -0.42  -0.21   0.02
    17   1    -0.05   0.03   0.01    -0.03  -0.46  -0.05     0.04   0.66   0.07
    18   1     0.18  -0.11  -0.03     0.22  -0.08  -0.04     0.42  -0.27  -0.07
    19   1     0.20   0.13  -0.02    -0.44  -0.15   0.02    -0.21  -0.11   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1209.9564              1224.4277              1266.8272
 Red. masses --      1.1444                 2.1628                 1.4704
 Frc consts  --      0.9872                 1.9105                 1.3904
 IR Inten    --      2.2186                 9.1259                11.3267
 RamAct Fr= 1--      7.1050                14.1126                 5.8291
  Dep-P Fr= 1--      0.4515                 0.0779                 0.1353
  Dep-U Fr= 1--      0.6221                 0.1446                 0.2383
 Alpha2 Fr= 1--      0.0433                 0.2607                 0.0935
 Beta2  Fr= 1--      0.7367                 0.3400                 0.2315
 AlphaG Fr= 1--     -0.0045                -0.0319                 0.1035
 Gamma2 Fr= 1--      0.4832                 0.6090                -0.6328
 Delta2 Fr= 1--      0.2284                 0.1337                -0.0641
 Raman1 Fr= 1--      28.420                 56.450                 23.316
 ROA1   Fr= 1--      53.696                 62.744                -62.801
 CID1   Fr= 1--       1.889                  1.111                 -2.693
 Raman2 Fr= 1--       8.841                  4.080                  2.778
 ROA2   Fr= 1--       9.770                 13.547                -14.674
 CID2   Fr= 1--       1.105                  3.320                 -5.282
 Raman3 Fr= 1--      17.681                  8.161                  5.557
 ROA3   Fr= 1--      53.696                 62.744                -62.801
 CID3   Fr= 1--       3.037                  7.689                -11.302
 RC180  Fr= 1--       0.244                 -0.711                 -0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.02  -0.01   0.01     0.02  -0.03  -0.02
     2   6     0.02   0.01  -0.00    -0.11  -0.03   0.02     0.09  -0.04   0.13
     3   1     0.02  -0.04   0.01    -0.10   0.19  -0.06    -0.34   0.62  -0.23
     4   1     0.09   0.01   0.01    -0.69  -0.02  -0.10    -0.33   0.41  -0.09
     5   6    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.03   0.01  -0.07
     6   6    -0.04  -0.01   0.01     0.24   0.04  -0.07    -0.06  -0.00  -0.04
     7   1    -0.01  -0.03   0.00     0.02   0.16  -0.01    -0.01  -0.19   0.02
     8   1     0.01   0.00  -0.00    -0.05  -0.04  -0.00     0.10   0.16   0.07
     9   1     0.00   0.02   0.00     0.02   0.07  -0.02    -0.02  -0.08   0.14
    10   6     0.05  -0.03  -0.01     0.06  -0.03  -0.00    -0.01   0.01   0.01
    11   6    -0.04  -0.03   0.00    -0.08   0.04   0.02     0.02  -0.01  -0.00
    12   6    -0.01   0.00   0.00     0.02   0.01  -0.00    -0.00  -0.01  -0.00
    13   6    -0.03   0.03   0.01    -0.07  -0.06   0.00     0.01   0.01   0.00
    14   6     0.04   0.03  -0.00     0.04  -0.01   0.00    -0.00   0.00   0.01
    15   1     0.46  -0.29  -0.08    -0.10   0.07  -0.00     0.05  -0.03  -0.05
    16   1    -0.45  -0.24   0.02    -0.27  -0.05   0.01     0.03  -0.00  -0.01
    17   1    -0.01   0.05   0.01     0.01  -0.07  -0.01    -0.00   0.02   0.00
    18   1    -0.31   0.22   0.06    -0.42   0.16   0.05     0.06  -0.02  -0.01
    19   1     0.46   0.25  -0.03    -0.11  -0.09  -0.02     0.04   0.03  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1325.7470              1356.6881              1373.5091
 Red. masses --      2.9171                 1.9555                 1.3740
 Frc consts  --      3.0208                 2.1206                 1.5272
 IR Inten    --      7.1212                 6.3985                15.6727
 RamAct Fr= 1--      3.4946                 0.5886                 3.4459
  Dep-P Fr= 1--      0.0997                 0.7463                 0.4512
  Dep-U Fr= 1--      0.1814                 0.8547                 0.6219
 Alpha2 Fr= 1--      0.0612                 0.0000                 0.0210
 Beta2  Fr= 1--      0.1056                 0.0838                 0.3571
 AlphaG Fr= 1--     -0.0309                -0.0014                -0.0026
 Gamma2 Fr= 1--      0.6051                 1.0243                -1.5922
 Delta2 Fr= 1--     -0.1775                -0.7172                -0.0924
 Raman1 Fr= 1--      13.978                  2.354                 13.784
 ROA1   Fr= 1--      52.405                 75.388               -155.811
 CID1   Fr= 1--       3.749                 32.021                -11.304
 Raman2 Fr= 1--       1.268                  1.006                  4.286
 ROA2   Fr= 1--      15.941                 30.322                -37.474
 CID2   Fr= 1--      12.575                 30.137                 -8.744
 Raman3 Fr= 1--       2.535                  2.012                  8.571
 ROA3   Fr= 1--      52.405                 75.388               -155.811
 CID3   Fr= 1--      20.670                 37.464                -18.178
 RC180  Fr= 1--      -0.637                  0.709                  0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
     2   6     0.13  -0.00  -0.02    -0.07  -0.03   0.02    -0.11  -0.06   0.02
     3   1     0.01  -0.03  -0.00    -0.05   0.08  -0.03    -0.06   0.11  -0.04
     4   1    -0.32  -0.38   0.01     0.40   0.29   0.01     0.57   0.34   0.03
     5   6    -0.07   0.01   0.04     0.03   0.00  -0.03     0.02  -0.03  -0.04
     6   6    -0.06   0.26   0.03     0.02   0.02   0.01     0.03   0.07   0.02
     7   1     0.19   0.06   0.06    -0.10  -0.05  -0.03    -0.03   0.04  -0.06
     8   1     0.14  -0.05  -0.11    -0.08   0.06   0.08     0.02   0.15   0.14
     9   1    -0.10  -0.10  -0.08     0.04   0.00   0.07     0.08   0.18   0.10
    10   6     0.06  -0.08  -0.01     0.13  -0.06  -0.02    -0.02   0.01   0.00
    11   6    -0.10  -0.10  -0.00    -0.08  -0.03   0.00    -0.03  -0.02   0.00
    12   6     0.01   0.10   0.01     0.01   0.14   0.01    -0.00  -0.03  -0.00
    13   6     0.12  -0.07  -0.02     0.07  -0.04  -0.01     0.02  -0.03  -0.01
    14   6    -0.10  -0.08   0.00    -0.14  -0.04   0.01     0.04   0.01  -0.01
    15   1     0.32  -0.25  -0.06    -0.43   0.29   0.08     0.26  -0.17  -0.04
    16   1     0.39   0.14  -0.02    -0.12  -0.05   0.01     0.21   0.10  -0.01
    17   1    -0.00  -0.08  -0.01    -0.01  -0.29  -0.03     0.01   0.21   0.02
    18   1    -0.22   0.15   0.04     0.12  -0.06  -0.01    -0.26   0.15   0.04
    19   1    -0.19  -0.13   0.01     0.41   0.24  -0.02    -0.31  -0.17   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.3434              1410.6040              1486.5301
 Red. masses --      1.1950                 1.2382                 2.1007
 Frc consts  --      1.3945                 1.4516                 2.7350
 IR Inten    --     32.1707                30.7261                11.0043
 RamAct Fr= 1--      3.1740                 3.1144                 1.7507
  Dep-P Fr= 1--      0.7476                 0.7494                 0.6084
  Dep-U Fr= 1--      0.8556                 0.8567                 0.7565
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0046
 Beta2  Fr= 1--      0.4526                 0.4447                 0.2207
 AlphaG Fr= 1--     -0.0017                 0.0011                 0.0133
 Gamma2 Fr= 1--      0.5023                 0.4465                 0.6006
 Delta2 Fr= 1--     -0.4568                 0.4556                -0.1932
 Raman1 Fr= 1--      12.696                 12.458                  7.003
 ROA1   Fr= 1--      33.607                 57.448                 51.475
 CID1   Fr= 1--       2.647                  4.611                  7.351
 Raman2 Fr= 1--       5.431                  5.336                  2.649
 ROA2   Fr= 1--      15.711                  7.072                 15.960
 CID2   Fr= 1--       2.893                  1.325                  6.025
 Raman3 Fr= 1--      10.863                 10.673                  5.298
 ROA3   Fr= 1--      33.607                 57.448                 51.475
 CID3   Fr= 1--       3.094                  5.383                  9.716
 RC180  Fr= 1--       0.711                  0.713                  0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.04    -0.02   0.02   0.04    -0.00  -0.00  -0.00
     2   6     0.04  -0.03  -0.03     0.01  -0.07  -0.03     0.03   0.04   0.01
     3   1     0.19  -0.33   0.15     0.18  -0.29   0.14    -0.01  -0.00  -0.00
     4   1    -0.23   0.47  -0.25    -0.15   0.53  -0.26    -0.14  -0.09   0.01
     5   6    -0.06  -0.08  -0.02     0.05   0.09   0.01     0.00  -0.02   0.01
     6   6    -0.00  -0.00  -0.01    -0.01   0.01  -0.00    -0.02  -0.15  -0.02
     7   1     0.26   0.22  -0.06    -0.21  -0.34   0.11    -0.15   0.13  -0.08
     8   1     0.36   0.20   0.11    -0.23  -0.22  -0.22     0.05   0.08   0.11
     9   1     0.06   0.41   0.04    -0.05  -0.35  -0.05    -0.01  -0.01  -0.16
    10   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.09   0.05  -0.00
    11   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00    -0.14   0.01   0.01
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.12  -0.01
    13   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.13  -0.00  -0.01
    14   6    -0.01  -0.00   0.00     0.00   0.01   0.00    -0.08   0.06   0.02
    15   1    -0.05   0.03   0.01     0.06  -0.03  -0.01    -0.10   0.19   0.03
    16   1    -0.01  -0.01  -0.00     0.07   0.04  -0.00     0.32   0.26  -0.00
    17   1     0.00  -0.03  -0.00     0.00   0.08   0.01     0.04   0.60   0.06
    18   1     0.04  -0.02  -0.01    -0.07   0.05   0.01    -0.28   0.28   0.06
    19   1     0.04   0.02  -0.00    -0.05  -0.02   0.00     0.10   0.17   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1496.5011              1497.8098              1534.4018
 Red. masses --      1.0739                 1.0560                 2.1825
 Frc consts  --      1.4171                 1.3958                 3.0275
 IR Inten    --      3.5379                 8.0368                 8.1864
 RamAct Fr= 1--      5.4836                 5.0901                 0.2165
  Dep-P Fr= 1--      0.6877                 0.6504                 0.5807
  Dep-U Fr= 1--      0.8150                 0.7882                 0.7347
 Alpha2 Fr= 1--      0.0060                 0.0091                 0.0007
 Beta2  Fr= 1--      0.7448                 0.6687                 0.0265
 AlphaG Fr= 1--     -0.0027                -0.0067                 0.0009
 Gamma2 Fr= 1--     -2.3592                 0.5150                 0.3136
 Delta2 Fr= 1--     -0.2740                 0.8614                -0.1525
 Raman1 Fr= 1--      21.934                 20.360                  0.866
 ROA1   Fr= 1--    -235.250                 77.005                 25.229
 CID1   Fr= 1--     -10.725                  3.782                 29.128
 Raman2 Fr= 1--       8.938                  8.024                  0.318
 ROA2   Fr= 1--     -54.428                  5.469                  8.747
 CID2   Fr= 1--      -6.089                  0.682                 27.489
 Raman3 Fr= 1--      17.876                 16.048                  0.636
 ROA3   Fr= 1--    -235.250                 77.005                 25.229
 CID3   Fr= 1--     -13.160                  4.798                 39.644
 RC180  Fr= 1--       0.630                  0.576                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00  -0.00
     2   6    -0.02   0.02  -0.01    -0.03   0.01   0.02    -0.03  -0.00   0.00
     3   1     0.01   0.00   0.00    -0.04   0.08  -0.03     0.01   0.00   0.00
     4   1     0.01  -0.06   0.02     0.09  -0.01   0.05    -0.02   0.00  -0.00
     5   6    -0.03   0.02  -0.04    -0.02   0.02   0.04     0.00   0.00  -0.00
     6   6     0.00  -0.03  -0.00     0.01  -0.01  -0.00     0.14  -0.00  -0.01
     7   1     0.60  -0.24   0.18    -0.07  -0.43   0.17     0.01   0.02  -0.01
     8   1    -0.18  -0.22  -0.22     0.51  -0.21  -0.43    -0.05   0.00   0.02
     9   1     0.07   0.13   0.61     0.02   0.38  -0.35     0.00  -0.01   0.03
    10   6     0.02   0.00  -0.00     0.00   0.00  -0.00    -0.06   0.09   0.02
    11   6    -0.02   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.09   0.00
    12   6    -0.00  -0.02  -0.00     0.00  -0.00  -0.00     0.10  -0.03  -0.01
    13   6     0.02  -0.00  -0.00    -0.00   0.00   0.00    -0.11   0.12   0.02
    14   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.08  -0.10  -0.00
    15   1    -0.04   0.04  -0.00    -0.02   0.02   0.01     0.41  -0.19  -0.06
    16   1     0.03   0.04   0.00     0.02   0.01  -0.00     0.43   0.18  -0.02
    17   1     0.00   0.09   0.01     0.00   0.01   0.00     0.13   0.03  -0.01
    18   1    -0.05   0.04   0.01     0.00   0.00   0.00     0.43  -0.21  -0.06
    19   1     0.01   0.02   0.00     0.02   0.01  -0.00     0.43   0.15  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1627.7043              1649.3763              3028.0905
 Red. masses --      5.4621                 5.5004                 1.0736
 Frc consts  --      8.5264                 8.8163                 5.7999
 IR Inten    --      0.8399                 1.6432                 7.1099
 RamAct Fr= 1--      6.7073                31.1588               237.0441
  Dep-P Fr= 1--      0.7500                 0.6314                 0.0900
  Dep-U Fr= 1--      0.8571                 0.7741                 0.1651
 Alpha2 Fr= 1--      0.0000                 0.0671                 4.2532
 Beta2  Fr= 1--      0.9582                 4.0200                 6.5212
 AlphaG Fr= 1--     -0.0006                -0.0046                -1.6640
 Gamma2 Fr= 1--      0.4459                 0.2704                -1.5787
 Delta2 Fr= 1--      0.1670                -0.2630                -0.6882
 Raman1 Fr= 1--      26.829                124.635                948.176
 ROA1   Fr= 1--      48.151                 17.539               -173.575
 CID1   Fr= 1--       1.795                  0.141                 -0.183
 Raman2 Fr= 1--      11.498                 48.240                 78.255
 ROA2   Fr= 1--       9.365                  8.593                -32.383
 CID2   Fr= 1--       0.815                  0.178                 -0.414
 Raman3 Fr= 1--      22.996                 96.479                156.509
 ROA3   Fr= 1--      48.151                 17.539               -173.575
 CID3   Fr= 1--       2.094                  0.182                 -1.109
 RC180  Fr= 1--       0.714                  0.548                 -0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01   0.04   0.00     0.03  -0.00  -0.00     0.01  -0.02  -0.07
     3   1     0.00  -0.01   0.00    -0.01   0.00  -0.00     0.01  -0.01  -0.01
     4   1    -0.10  -0.05   0.01     0.04  -0.01   0.01    -0.16   0.26   0.79
     5   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02   0.02
     6   6    -0.00  -0.29  -0.03    -0.21   0.03   0.03     0.00  -0.00  -0.00
     7   1    -0.00   0.01  -0.01    -0.01  -0.01   0.00     0.08  -0.15  -0.43
     8   1    -0.03  -0.00   0.01     0.00   0.00  -0.00     0.04  -0.14   0.13
     9   1     0.01   0.02   0.02    -0.00  -0.02  -0.01    -0.15   0.03   0.02
    10   6    -0.09   0.20   0.03     0.28  -0.10  -0.04    -0.00  -0.00  -0.00
    11   6    -0.09  -0.21  -0.02    -0.27  -0.06   0.02     0.00  -0.00  -0.00
    12   6     0.03   0.36   0.04     0.14  -0.00  -0.01     0.00   0.00   0.00
    13   6     0.04  -0.20  -0.03    -0.27   0.08   0.04     0.00   0.00  -0.00
    14   6     0.11   0.17   0.01     0.30   0.06  -0.02    -0.00   0.00   0.00
    15   1     0.35  -0.07  -0.04    -0.30   0.26   0.06     0.01   0.01   0.00
    16   1     0.28  -0.05  -0.03     0.25   0.21  -0.00     0.00   0.00  -0.00
    17   1    -0.01  -0.50  -0.06     0.15  -0.02  -0.02    -0.00   0.00   0.00
    18   1    -0.21  -0.06   0.01     0.24  -0.25  -0.05     0.00  -0.00  -0.00
    19   1    -0.27  -0.02   0.03    -0.32  -0.27   0.01     0.00  -0.00  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3035.0030              3097.0587              3117.3157
 Red. masses --      1.0471                 1.1002                 1.1009
 Frc consts  --      5.6825                 6.2174                 6.3032
 IR Inten    --     19.0612                28.5173                22.6329
 RamAct Fr= 1--     52.7559                46.4241               106.5318
  Dep-P Fr= 1--      0.1056                 0.4365                 0.5358
  Dep-U Fr= 1--      0.1910                 0.6077                 0.6978
 Alpha2 Fr= 1--      0.9111                 0.3002                 0.4401
 Beta2  Fr= 1--      1.6792                 4.7021                12.3894
 AlphaG Fr= 1--      0.2370                 0.8975                -0.3859
 Gamma2 Fr= 1--      1.2492                 0.7436                -2.1356
 Delta2 Fr= 1--     -0.8041                 2.3473                -2.7033
 Raman1 Fr= 1--     211.024                185.696                426.127
 ROA1   Fr= 1--      94.195                146.495               -291.521
 CID1   Fr= 1--       0.446                  0.789                 -0.684
 Raman2 Fr= 1--      20.150                 56.425                148.673
 ROA2   Fr= 1--      36.415                 -0.933                -29.627
 CID2   Fr= 1--       1.807                 -0.017                 -0.199
 Raman3 Fr= 1--      40.301                112.850                297.346
 ROA3   Fr= 1--      94.195                146.495               -291.521
 CID3   Fr= 1--       2.337                  1.298                 -0.980
 RC180  Fr= 1--      -0.618                  0.215                  0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.01  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     4   1    -0.09   0.14   0.45    -0.03   0.05   0.14     0.01  -0.02  -0.04
     5   6    -0.01  -0.04  -0.01     0.01   0.02  -0.09    -0.08   0.04   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.10   0.19   0.54    -0.11   0.22   0.59     0.02  -0.06  -0.20
     8   1    -0.13   0.37  -0.34     0.19  -0.53   0.46     0.09  -0.28   0.26
     9   1     0.39  -0.09  -0.04    -0.16   0.04  -0.00     0.87  -0.18  -0.09
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.02   0.02   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3166.9710              3175.5023              3187.0981
 Red. masses --      1.0850                 1.0881                 1.0915
 Frc consts  --      6.4116                 6.4645                 6.5322
 IR Inten    --      0.4105                 6.7096                14.9840
 RamAct Fr= 1--     44.3187               121.7433                50.8018
  Dep-P Fr= 1--      0.6912                 0.7464                 0.6407
  Dep-U Fr= 1--      0.8174                 0.8548                 0.7810
 Alpha2 Fr= 1--      0.0457                 0.0075                 0.1003
 Beta2  Fr= 1--      6.0377                17.3439                 6.6127
 AlphaG Fr= 1--     -0.0112                -0.0060                -0.0662
 Gamma2 Fr= 1--     -0.0205                 1.2067                 0.1240
 Delta2 Fr= 1--      0.1562                 0.4487                -0.8965
 Raman1 Fr= 1--     177.275                486.973                203.207
 ROA1   Fr= 1--       3.030                130.205                -16.778
 CID1   Fr= 1--       0.017                  0.267                 -0.083
 Raman2 Fr= 1--      72.452                208.127                 79.353
 ROA2   Fr= 1--      -1.742                 25.372                 10.149
 CID2   Fr= 1--      -0.024                  0.122                  0.128
 Raman3 Fr= 1--     144.904                416.255                158.706
 ROA3   Fr= 1--       3.030                130.205                -16.778
 CID3   Fr= 1--       0.021                  0.313                 -0.106
 RC180  Fr= 1--       0.635                  0.710                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.01  -0.01
     9   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.01   0.01   0.00     0.01   0.02   0.00    -0.01  -0.02  -0.00
    11   6     0.02  -0.04  -0.01     0.03  -0.05  -0.01    -0.01   0.03   0.00
    12   6    -0.05   0.00   0.00    -0.01   0.00   0.00    -0.06   0.00   0.01
    13   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.00  -0.00  -0.00
    14   6     0.01  -0.02  -0.00    -0.01   0.03   0.00    -0.02   0.05   0.01
    15   1    -0.08  -0.13  -0.01    -0.13  -0.20  -0.01     0.15   0.23   0.01
    16   1    -0.23   0.45   0.07    -0.29   0.59   0.10     0.14  -0.29  -0.05
    17   1     0.57  -0.03  -0.06     0.08  -0.01  -0.01     0.63  -0.03  -0.06
    18   1    -0.31  -0.47  -0.03     0.32   0.50   0.03    -0.01   0.00   0.00
    19   1    -0.11   0.21   0.03     0.16  -0.33  -0.05     0.29  -0.56  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3194.3051              3201.2175              3776.7472
 Red. masses --      1.0945                 1.0940                 1.0660
 Frc consts  --      6.5797                 6.6051                 8.9583
 IR Inten    --     19.6470                 7.3182                18.2674
 RamAct Fr= 1--    131.7201               229.5037                51.3765
  Dep-P Fr= 1--      0.0915                 0.1010                 0.1381
  Dep-U Fr= 1--      0.1677                 0.1834                 0.2427
 Alpha2 Fr= 1--      2.3544                 4.0089                 0.8184
 Beta2  Fr= 1--      3.6815                 7.0149                 2.0783
 AlphaG Fr= 1--      0.3766                 0.0291                 0.5345
 Gamma2 Fr= 1--      2.8925                -2.5041                 4.2804
 Delta2 Fr= 1--      2.7018                -1.8951                 0.4187
 Raman1 Fr= 1--     526.880                918.015                205.506
 ROA1   Fr= 1--     364.142               -301.039                424.316
 CID1   Fr= 1--       0.691                 -0.328                  2.065
 Raman2 Fr= 1--      44.178                 84.179                 24.940
 ROA2   Fr= 1--      47.806                -44.938                 99.380
 CID2   Fr= 1--       1.082                 -0.534                  3.985
 Raman3 Fr= 1--      88.355                168.357                 49.880
 ROA3   Fr= 1--     364.142               -301.039                424.316
 CID3   Fr= 1--       4.121                 -1.788                  8.507
 RC180  Fr= 1--      -0.665                 -0.633                 -0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.06
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.29   0.14   0.95
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.00
     8   1    -0.00   0.01  -0.01    -0.01   0.02  -0.02    -0.00  -0.00   0.00
     9   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.02  -0.03  -0.00    -0.04  -0.06  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.01   0.00     0.02  -0.03  -0.01    -0.00  -0.00  -0.00
    12   6    -0.04   0.00   0.00     0.02   0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.04  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    14   6     0.03  -0.05  -0.01    -0.01   0.01   0.00     0.00   0.00  -0.00
    15   1     0.20   0.32   0.02     0.45   0.70   0.04    -0.00  -0.00   0.00
    16   1     0.02  -0.06  -0.01    -0.19   0.37   0.06     0.00  -0.00  -0.00
    17   1     0.42  -0.02  -0.04    -0.27   0.01   0.03     0.00  -0.00   0.00
    18   1     0.29   0.45   0.02    -0.09  -0.15  -0.01     0.00   0.00   0.00
    19   1    -0.28   0.54   0.08     0.06  -0.11  -0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   521.722681532.203461968.36885
           X            0.99962   0.02743  -0.00325
           Y           -0.02740   0.99960   0.00701
           Z            0.00344  -0.00692   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16602     0.05653     0.04400
 Rotational constants (GHZ):           3.45920     1.17787     0.91687
 Zero-point vibrational energy     422754.7 (Joules/Mol)
                                  101.04079 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     38.35   209.21   316.64   398.83   417.34
          (Kelvin)            494.02   570.95   595.55   681.96   717.97
                              881.69   918.12  1025.26  1080.31  1140.10
                             1238.36  1299.12  1341.12  1395.30  1414.89
                             1472.49  1477.39  1518.68  1554.24  1564.87
                             1626.84  1705.92  1740.86  1761.68  1822.68
                             1907.45  1951.97  1976.17  2024.85  2029.54
                             2138.79  2153.13  2155.01  2207.66  2341.90
                             2373.08  4356.75  4366.69  4455.98  4485.12
                             4556.56  4568.84  4585.52  4595.89  4605.84
                             5433.90
 
 Zero-point correction=                           0.161019 (Hartree/Particle)
 Thermal correction to Energy=                    0.169366
 Thermal correction to Enthalpy=                  0.170310
 Thermal correction to Gibbs Free Energy=         0.127380
 Sum of electronic and zero-point Energies=           -386.114894
 Sum of electronic and thermal Energies=              -386.106548
 Sum of electronic and thermal Enthalpies=            -386.105603
 Sum of electronic and thermal Free Energies=         -386.148533
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.278             32.215             90.353
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.844
 Vibrational            104.501             26.253             21.196
 Vibration     1          0.593              1.984              6.064
 Vibration     2          0.617              1.908              2.731
 Vibration     3          0.647              1.811              1.958
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.686              1.692              1.474
 Vibration     6          0.722              1.589              1.196
 Vibration     7          0.763              1.477              0.974
 Vibration     8          0.778              1.440              0.913
 Vibration     9          0.831              1.308              0.726
 Vibration    10          0.854              1.252              0.661
 Vibration    11          0.972              1.005              0.428
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256598D-58        -58.590747       -134.910180
 Total V=0       0.296941D+16         15.472671         35.627140
 Vib (Bot)       0.107793D-71        -71.967408       -165.711081
 Vib (Bot)    1  0.776928D+01          0.890381          2.050177
 Vib (Bot)    2  0.139628D+01          0.144973          0.333813
 Vib (Bot)    3  0.898764D+00         -0.046354         -0.106735
 Vib (Bot)    4  0.694599D+00         -0.158266         -0.364421
 Vib (Bot)    5  0.659246D+00         -0.180953         -0.416659
 Vib (Bot)    6  0.539638D+00         -0.267898         -0.616857
 Vib (Bot)    7  0.450186D+00         -0.346608         -0.798095
 Vib (Bot)    8  0.426166D+00         -0.370421         -0.852925
 Vib (Bot)    9  0.354664D+00         -0.450183         -1.036585
 Vib (Bot)   10  0.329641D+00         -0.481959         -1.109751
 Vib (Bot)   11  0.240452D+00         -0.618971         -1.425234
 Vib (V=0)       0.124741D+03          2.096009          4.826240
 Vib (V=0)    1  0.828535D+01          0.918311          2.114489
 Vib (V=0)    2  0.198311D+01          0.297346          0.684664
 Vib (V=0)    3  0.152848D+01          0.184261          0.424276
 Vib (V=0)    4  0.135584D+01          0.132209          0.304423
 Vib (V=0)    5  0.132741D+01          0.123005          0.283229
 Vib (V=0)    6  0.123567D+01          0.091902          0.211613
 Vib (V=0)    7  0.117281D+01          0.069226          0.159399
 Vib (V=0)    8  0.115698D+01          0.063324          0.145810
 Vib (V=0)    9  0.111301D+01          0.046501          0.107072
 Vib (V=0)   10  0.109889D+01          0.040952          0.094296
 Vib (V=0)   11  0.105481D+01          0.023175          0.053363
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.449032D+06          5.652277         13.014849
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3               3333333 33                                             11 1111111111111111111                                  
      7               2111110 00                                             66 54444433322211000009999 8 77 7 66   4443 322 2  1    
      7               0987619 32                                             42 39981075262183885228730 6 95 1 31   9719 497 2  4   2
      7               1476777 58                                             98 48771747674061806733023 1 21 3 83   9447 307 0  5   7
 
      X               XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXX XX X XX X XX   XXXX XXX X  X   X
      X               XXXX XX XX                                                XX XXXXXXXX  XXXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                 XX XXXX  XX   XXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                    XXXX  X    XXX X   X    X X  X   X    XXX         
      X                XX  XX X                                                     XXX       XXX X   X    X X  X        XXX         
      X                X   XX X                                                     XX        XXX X        X X  X        XXX         
                           XX                                                       XX        XX  X        X X            XX         
                            X                                                       XX        XX             X            XX         
                            X                                                       XX        XX             X            XX         
                                                                                    XX        XX             X            XX         
                                                                                     X                       X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                                          XX         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003628    0.000002084   -0.000005617
      2        6           0.000011094   -0.000006758    0.000005180
      3        1           0.000000439    0.000001446   -0.000001157
      4        1           0.000000208   -0.000000078    0.000002417
      5        6          -0.000001972   -0.000005787   -0.000005001
      6        6          -0.000002105    0.000037070    0.000004691
      7        1          -0.000000140    0.000000737    0.000001431
      8        1          -0.000000886    0.000000994    0.000000070
      9        1           0.000001112    0.000000549    0.000000635
     10        6           0.000014776   -0.000014667   -0.000003090
     11        6          -0.000019276   -0.000008097    0.000000300
     12        6           0.000001082    0.000019475    0.000002809
     13        6           0.000017413   -0.000013696   -0.000002984
     14        6          -0.000018375   -0.000015751   -0.000002376
     15        1          -0.000000477    0.000000594    0.000000408
     16        1           0.000000311    0.000000545    0.000000728
     17        1          -0.000000831   -0.000000636   -0.000000241
     18        1          -0.000001178    0.000001198   -0.000000073
     19        1           0.000002430    0.000000777    0.000001872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037070 RMS     0.000008480
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126415D+03  0.135248D+01 -0.302130D+01
      2   0.135248D+01  0.105135D+03  0.281182D+01
      3  -0.302130D+01  0.281182D+01  0.685835D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.112940D+01 -0.380742D+01 -0.620385D+01
      2   0.121407D+02 -0.679406D+01  0.428065D+01
      3   0.112732D+02  0.387955D+02  0.655366D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.910961D+02 -0.892397D+01  0.109838D+02
      2   0.411675D+02  0.229543D+02 -0.415689D+01
      3   0.499286D+02 -0.140303D+02 -0.682692D+01
      4   0.229758D+02 -0.696520D+02 -0.165924D+02
      5   0.575114D+01 -0.167651D+02  0.112844D+02
      6  -0.566163D+01 -0.302441D+01  0.131760D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.401437D+01 -0.250692D+01  0.107136D+01 -0.431921D+01  0.323206D+01
      2  -0.250692D+01  0.200109D+01 -0.836518D+00  0.323206D+01 -0.459185D+01
      3   0.107136D+01 -0.836518D+00  0.152314D+01 -0.607683D+00  0.143712D+01
                 6             7             8             9            10 
      1  -0.607683D+00 -0.138319D+00 -0.605929D+00  0.148627D+01 -0.301036D+01
      2   0.143712D+01 -0.605929D+00  0.345751D+00 -0.117829D+01  0.709758D+00
      3  -0.705330D+00  0.148627D+01 -0.117829D+01 -0.438570D+01  0.880897D+00
                11            12            13            14            15 
      1   0.709758D+00  0.880897D+00  0.171264D+01 -0.421309D+01  0.682374D-01
      2  -0.222104D+01  0.246776D+00 -0.421309D+01  0.240219D-01 -0.699744D+00
      3   0.246776D+00 -0.790231D+00  0.682374D-01 -0.699744D+00  0.203616D+01
                16            17            18            19            20 
      1   0.244459D+01 -0.269418D-02 -0.324286D+01 -0.739238D+00  0.178554D+00
      2  -0.269418D-02 -0.833930D+00  0.280944D+01  0.178554D+00 -0.214753D+00
      3  -0.324286D+01  0.280944D+01  0.645226D+01  0.265365D+00  0.287302D+00
                21            22            23            24            25 
      1   0.265365D+00  0.504081D+00  0.926563D-01  0.437892D-01  0.171725D+01
      2   0.287302D+00  0.926563D-01 -0.441837D+00  0.526958D+00 -0.402471D+00
      3  -0.137748D+01  0.437892D-01  0.526958D+00  0.399570D+00  0.455552D+00
                26            27            28            29            30 
      1  -0.402471D+00  0.455552D+00  0.196141D+01 -0.489573D+00 -0.187706D+01
      2   0.155409D+01 -0.102480D+01 -0.489573D+00  0.693999D+00  0.347166D+00
      3  -0.102480D+01  0.638776D+01 -0.187706D+01  0.347166D+00  0.139112D+01
                31            32            33            34            35 
      1  -0.170783D+01  0.160671D+01  0.595009D+00 -0.449467D+01  0.676603D+00
      2   0.160671D+01 -0.125837D+01 -0.134367D+01  0.676603D+00 -0.152482D+01
      3   0.595009D+00 -0.134367D+01 -0.178619D+01  0.290176D+01 -0.194141D+01
                36            37            38            39            40 
      1   0.290176D+01 -0.737121D+01  0.206391D+01  0.847313D+00  0.417843D+01
      2  -0.194141D+01  0.206391D+01  0.260914D+01 -0.309647D+00  0.284310D+01
      3  -0.767200D+01  0.847313D+00 -0.309647D+00  0.142415D+01 -0.251289D+00
                41            42            43            44            45 
      1   0.284310D+01 -0.251289D+00  0.700588D+00  0.943500D-01  0.665470D+00
      2  -0.411301D+00  0.155192D+01  0.943500D-01  0.175448D+01 -0.379543D+01
      3   0.155192D+01 -0.388502D+01  0.665470D+00 -0.379543D+01 -0.363210D+01
                46            47            48            49            50 
      1   0.155741D+02 -0.176657D+01 -0.838063D+00 -0.160062D+01 -0.166901D+01
      2  -0.176657D+01  0.270416D+01  0.247783D-01 -0.166901D+01 -0.166645D+00
      3  -0.838063D+00  0.247783D-01  0.183226D+01 -0.367874D+00  0.138225D+00
                51            52            53            54            55 
      1  -0.367874D+00 -0.601721D+00 -0.346397D+00  0.372086D+01  0.439495D+00
      2   0.138225D+00 -0.346397D+00 -0.771172D-01 -0.341340D+00  0.152885D+00
      3  -0.372570D+00  0.372086D+01 -0.341340D+00 -0.142817D+01  0.849206D+00
                56            57            58            59            60 
      1   0.152885D+00  0.849206D+00  0.128938D+00  0.114666D+00  0.151671D+00
      2  -0.521558D+00 -0.669018D-01  0.114666D+00  0.187713D+01  0.129440D+01
      3  -0.669018D-01 -0.631030D+00  0.151671D+00  0.129440D+01  0.174431D+01
                61            62            63            64            65 
      1   0.202761D+01  0.713667D+00  0.559734D+00 -0.156299D+00  0.418105D+00
      2   0.713667D+00  0.202466D+01  0.232628D+01  0.418105D+00 -0.776339D+00
      3   0.559734D+00  0.232628D+01  0.616690D+01 -0.750549D+00  0.293576D+00
                66            67            68            69            70 
      1  -0.750549D+00  0.102944D+01  0.218674D+00 -0.700942D-01 -0.161659D+01
      2   0.293576D+00  0.218674D+00  0.510207D+01 -0.251927D+01 -0.467364D+00
      3  -0.610745D+00 -0.700942D-01 -0.251927D+01  0.252783D+01  0.539709D-01
                71            72            73            74            75 
      1  -0.467364D+00  0.539709D-01  0.123378D+02  0.378907D+00 -0.763675D+00
      2  -0.297683D+01  0.263546D+01  0.378907D+00  0.101793D+01 -0.112869D-01
      3   0.263546D+01 -0.297430D+01 -0.763675D+00 -0.112869D-01  0.110545D+01
                76            77            78            79            80 
      1  -0.178706D+01  0.907899D+00  0.667660D-01 -0.964699D+00 -0.613932D-01
      2   0.907899D+00 -0.412856D+00 -0.290133D+00 -0.613932D-01 -0.443897D+00
      3   0.667660D-01 -0.290133D+00  0.215050D-01  0.137076D+01  0.377499D+00
                81            82            83            84            85 
      1   0.137076D+01 -0.468257D+01 -0.920940D+00  0.434907D-01  0.744203D+01
      2   0.377499D+00 -0.920940D+00  0.272259D+01  0.614649D+00  0.177236D+00
      3  -0.693742D-01  0.434907D-01  0.614649D+00  0.146428D+01 -0.139588D+00
                86            87            88            89            90 
      1   0.177236D+00 -0.139588D+00  0.145768D+01  0.358391D-01  0.157771D+01
      2   0.156194D+01 -0.593812D+00  0.358391D-01 -0.982969D+00  0.344909D+01
      3  -0.593812D+00  0.207038D+01  0.157771D+01  0.344909D+01  0.413800D+00
                91            92            93            94            95 
      1   0.351181D+01  0.866830D-01 -0.297312D+00  0.507136D+01  0.220579D+00
      2   0.866830D-01 -0.208583D+01  0.342226D+00  0.220579D+00  0.101820D+01
      3  -0.297312D+00  0.342226D+00 -0.919210D+00  0.152888D+00 -0.550944D+00
                96            97            98            99           100 
      1   0.152888D+00 -0.654011D-01  0.655819D+00 -0.207482D+01 -0.491008D+01
      2  -0.550944D+00  0.655819D+00 -0.612242D+00  0.351678D+01 -0.476122D-01
      3   0.193524D+01 -0.207482D+01  0.351678D+01  0.145848D+01 -0.471248D+00
               101           102           103           104           105 
      1  -0.476122D-01 -0.471248D+00  0.358439D+00  0.310038D+00  0.532020D+00
      2  -0.321415D+01 -0.737679D-01  0.310038D+00 -0.470317D+00 -0.261774D+00
      3  -0.737679D-01 -0.242101D+01  0.532020D+00 -0.261774D+00 -0.839356D-02
               106           107           108           109           110 
      1  -0.447259D+00  0.597634D+00 -0.512650D+01  0.220786D+01 -0.215273D+00
      2   0.597634D+00  0.206375D+00  0.754561D-01 -0.215273D+00 -0.244092D+01
      3  -0.512650D+01  0.754561D-01  0.109043D+01 -0.465117D+00 -0.559548D+00
               111           112           113           114           115 
      1  -0.465117D+00 -0.499327D+01  0.655071D+00  0.605252D+00 -0.116737D+01
      2  -0.559548D+00  0.655071D+00 -0.264841D+00  0.658905D+00  0.149001D+00
      3  -0.139006D+01  0.605252D+00  0.658905D+00 -0.196816D+01 -0.265819D+01
               116           117           118           119           120 
      1   0.149001D+00 -0.265819D+01 -0.380968D+01  0.176844D+01  0.264413D+00
      2   0.112885D+01 -0.324391D+01  0.176844D+01  0.266557D+01 -0.163690D+00
      3  -0.324391D+01 -0.282693D+00  0.264413D+00 -0.163690D+00  0.100741D+01
               121           122           123           124           125 
      1  -0.640063D+01  0.595786D+00 -0.160504D+00  0.721214D-02 -0.501896D+00
      2   0.595786D+00 -0.144172D+01  0.522828D+00 -0.501896D+00  0.159965D+00
      3  -0.160504D+00  0.522828D+00 -0.188797D+01  0.923217D+00 -0.351754D+01
               126           127           128           129           130 
      1   0.923217D+00  0.291549D+01  0.225194D+01  0.531689D-01  0.242820D+01
      2  -0.351754D+01  0.225194D+01  0.230714D+01  0.432070D-01  0.276023D+01
      3  -0.160980D+01  0.531689D-01  0.432070D-01  0.231761D+00  0.155165D+00
               131           132           133           134           135 
      1   0.276023D+01  0.155165D+00 -0.122325D+00  0.142260D+00 -0.414574D-01
      2   0.668475D+01  0.382046D+00  0.142260D+00  0.557655D+00  0.141598D+00
      3   0.382046D+00  0.679946D+00 -0.414574D-01  0.141598D+00  0.874788D-01
               136           137           138           139           140 
      1  -0.295325D+01  0.303015D+01  0.531015D+00  0.267594D+01 -0.400852D+01
      2   0.303015D+01 -0.311047D+01 -0.539132D+00 -0.400852D+01  0.869448D+01
      3   0.531015D+00 -0.539132D+00 -0.553742D+00 -0.572407D+00  0.117979D+01
               141           142           143           144           145 
      1  -0.572407D+00  0.627369D+00 -0.751539D+00 -0.247975D+00 -0.132779D+02
      2   0.117979D+01 -0.751539D+00  0.136697D+01  0.372481D+00  0.409921D+00
      3   0.108657D+01 -0.247975D+00  0.372481D+00  0.244123D+00  0.110831D+01
               146           147           148           149           150 
      1   0.409921D+00  0.110831D+01  0.432268D+00 -0.163975D+01 -0.211096D+00
      2  -0.791546D+00 -0.646127D-02 -0.163975D+01  0.128654D+00  0.147311D+00
      3  -0.646127D-02 -0.114524D+01 -0.211096D+00  0.147311D+00  0.607912D-01
               151           152           153           154           155 
      1   0.122719D+01 -0.204536D+00 -0.235547D+00 -0.406898D+01 -0.360446D+01
      2  -0.204536D+00  0.811438D-01  0.224978D-01 -0.360446D+01 -0.361966D+01
      3  -0.235547D+00  0.224978D-01  0.180340D+00 -0.136721D+00 -0.905275D-01
               156           157           158           159           160 
      1  -0.136721D+00 -0.338365D+01 -0.450277D+01 -0.349329D+00 -0.136747D+00
      2  -0.905275D-01 -0.450277D+01 -0.786073D+01 -0.470271D+00 -0.242583D+00
      3  -0.566634D+00 -0.349329D+00 -0.470271D+00 -0.887969D+00 -0.162340D+00
               161           162           163           164           165 
      1  -0.242583D+00 -0.162340D+00  0.201717D+01 -0.189791D+01 -0.314789D+00
      2  -0.622599D+00 -0.335863D+00 -0.189791D+01  0.227464D+01  0.457798D+00
      3  -0.335863D+00 -0.153118D+00 -0.314789D+00  0.457798D+00  0.425812D+00
               166           167           168           169           170 
      1  -0.176951D+01  0.229843D+01  0.359066D+00 -0.454377D+00  0.521629D+00
      2   0.229843D+01 -0.777079D+01 -0.110989D+01  0.521629D+00 -0.110554D+01
      3   0.359066D+00 -0.110989D+01 -0.106069D+01  0.743839D-01 -0.347983D+00
               171 
      1   0.743839D-01
      2  -0.347983D+00
      3  -0.274319D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.131635D+01  0.934863D+00  0.318095D+01 -0.210826D+01  0.687692D+00
      2   0.860234D+00 -0.262315D+01  0.939612D+01  0.431755D-01  0.320942D+01
      3   0.162828D+01 -0.956941D+01  0.169490D+01 -0.944229D+00  0.101866D+02
                 6             7             8             9            10 
      1  -0.672757D+01  0.342443D+00  0.141056D+01 -0.653316D+01 -0.533788D-01
      2  -0.240109D+01  0.310469D+01 -0.161906D+01 -0.101272D+02  0.187709D+01
      3  -0.257523D+01  0.111214D+01 -0.198354D+01  0.107058D+01 -0.143984D+01
                11            12            13            14            15 
      1   0.534912D+00  0.100928D-01  0.304959D+01  0.147257D+01 -0.438585D+00
      2   0.282982D+00 -0.152193D+01 -0.719580D+00 -0.365469D+01  0.377274D+01
      3   0.208724D+01  0.441653D-01  0.146387D+02  0.415923D+00  0.180585D+01
                16            17            18            19            20 
      1   0.189083D+00  0.406685D+01 -0.211873D+01  0.420889D+00 -0.398021D+00
      2  -0.122763D+02  0.473448D+01  0.978655D+01  0.291286D+01  0.205262D+00
      3   0.546893D+00  0.359969D+01 -0.687540D+01  0.115847D+01  0.925197D+00
                21            22            23            24            25 
      1  -0.215196D+01 -0.288473D+00  0.120361D+01  0.327704D+00  0.174432D+00
      2  -0.342372D+01 -0.113413D+01  0.904213D+00  0.106971D+01 -0.233237D+01
      3  -0.903652D+00  0.106987D+01  0.446263D+00 -0.594758D+00 -0.347214D+00
                26            27            28            29            30 
      1   0.817669D+00  0.966686D+01 -0.816152D-01 -0.132651D+01 -0.869076D-01
      2  -0.231436D+01  0.148057D+02 -0.213596D+01  0.543362D+00  0.279793D+01
      3  -0.248353D+01  0.310988D+01  0.689138D+00 -0.325792D+01 -0.395844D+00
                31            32            33            34            35 
      1  -0.157887D+01  0.112397D+01 -0.437536D+00  0.116513D+00  0.232429D+01
      2   0.222647D+00 -0.109871D+01 -0.313821D+01  0.106155D+01 -0.308491D+01
      3  -0.213886D+01  0.226727D+01  0.259970D+01 -0.246124D+00  0.279183D+01
                36            37            38            39            40 
      1  -0.169578D+00 -0.199429D+01 -0.508012D+00 -0.251040D+01 -0.117061D+01
      2  -0.127050D+02  0.281879D+01  0.202338D+00  0.635017D+01  0.639173D+00
      3   0.401527D+01 -0.174961D+02 -0.902226D+01  0.230287D+01 -0.170565D+01
                41            42            43            44            45 
      1  -0.392739D+01  0.273914D+01  0.756546D+00  0.723274D+01  0.427633D+01
      2   0.502891D+01 -0.104156D+02 -0.111470D+01 -0.107942D+02 -0.930303D+01
      3   0.612111D+01 -0.526675D+01  0.214816D+01 -0.493043D+01  0.137348D+02
                46            47            48            49            50 
      1   0.235762D+00  0.101165D+01  0.140697D+01  0.272348D+01 -0.166535D+01
      2  -0.193369D+01 -0.445317D+00 -0.641992D+00 -0.370318D+00 -0.257512D+00
      3   0.588723D+01  0.531551D+01 -0.386644D-01  0.147566D+02  0.591015D+00
                51            52            53            54            55 
      1   0.172219D+01  0.532973D+00  0.956206D+01  0.140003D+01 -0.857929D+00
      2  -0.614802D+00 -0.125441D+02 -0.617391D+00 -0.906762D-01  0.311268D+01
      3  -0.608588D+00 -0.150775D+01 -0.259851D+01  0.237450D+00 -0.695447D+00
                56            57            58            59            60 
      1  -0.208375D+00  0.824188D+00 -0.138322D+00 -0.141827D+01 -0.386004D+01
      2  -0.147589D+00 -0.111059D+01 -0.268595D+00  0.335834D+01  0.503140D+01
      3   0.170084D+01  0.160277D+01  0.210019D+01 -0.522218D+01 -0.371675D+01
                61            62            63            64            65 
      1  -0.571932D+00 -0.769934D+00 -0.893734D+01  0.530528D+00  0.855180D-01
      2  -0.166478D+01  0.602209D+01  0.163715D+02 -0.264152D+01  0.491195D+00
      3   0.163978D+01 -0.530343D+01 -0.717928D+01 -0.334619D+01  0.262329D+01
                66            67            68            69            70 
      1   0.126195D+01  0.187448D+00  0.164253D+01 -0.465228D+01  0.423549D+00
      2  -0.136365D+01  0.655685D+00 -0.613738D+01  0.613693D+01 -0.213957D+01
      3  -0.209242D+01  0.404894D+01 -0.144513D+02  0.744994D+01 -0.217757D+01
                71            72            73            74            75 
      1  -0.137019D+01  0.397660D+01  0.369105D+00 -0.289533D+00 -0.122026D+01
      2   0.606387D+01 -0.709316D+01 -0.476630D+00  0.216335D+00  0.545949D+01
      3   0.809398D+01 -0.789854D+01  0.141768D+02 -0.556002D+01 -0.103642D+01
                76            77            78            79            80 
      1  -0.165100D+00  0.394802D+00 -0.524014D+00 -0.126696D+01  0.517904D+00
      2   0.350028D-01 -0.602054D+00 -0.242842D+00  0.250147D+01  0.993981D+00
      3  -0.309327D+01  0.250135D+01  0.100253D+01 -0.112210D+01  0.144367D+01
                81            82            83            84            85 
      1  -0.168357D+00 -0.135052D+01  0.324032D+00 -0.242802D+01  0.780041D+00
      2   0.121806D+00 -0.211875D+01  0.890075D-01 -0.143415D+01  0.212494D+01
      3  -0.524509D-01 -0.583902D+01 -0.198772D+01  0.106360D+01  0.548610D+01
                86            87            88            89            90 
      1   0.332592D+00 -0.247553D+01 -0.531557D+01  0.332308D+01  0.655759D+00
      2  -0.207267D+00 -0.116058D+01 -0.132297D+02 -0.612181D+00  0.904064D+00
      3   0.424356D+01 -0.758267D+00  0.150446D+01  0.168676D+00  0.510227D+01
                91            92            93            94            95 
      1   0.168707D+01 -0.734345D+00  0.150941D+01  0.107056D+00  0.943853D-01
      2   0.765749D-01  0.399029D+00  0.950990D+00  0.559966D+00  0.188079D+01
      3   0.373255D+01 -0.105473D+02 -0.112552D+01  0.621012D+01  0.145196D+01
                96            97            98            99           100 
      1  -0.248604D+01  0.502186D+01  0.152017D+01 -0.639473D+00 -0.681004D-01
      2  -0.491670D+01 -0.671863D+01 -0.921918D+01 -0.196851D+01  0.275556D-01
      3  -0.129815D+01  0.531970D-01 -0.129518D+01  0.471333D+01 -0.598429D+00
               101           102           103           104           105 
      1   0.781975D+00  0.514172D+00  0.359515D+00 -0.178060D+01  0.179667D+01
      2  -0.269841D-01  0.665082D+01 -0.210331D+01  0.749811D-01  0.134892D+00
      3  -0.678777D+01 -0.741921D-01  0.107533D+02 -0.304926D+01 -0.149106D+01
               106           107           108           109           110 
      1   0.117867D+01  0.112684D+02  0.963845D+00 -0.105696D+01 -0.430840D+00
      2   0.689409D+01 -0.529137D+00 -0.193187D+01  0.717996D+00  0.164572D+01
      3   0.183915D+01 -0.390681D+00 -0.540546D+00  0.411551D+00 -0.124336D+02
               111           112           113           114           115 
      1  -0.228135D+01  0.116844D+01  0.241823D+00 -0.187213D+01 -0.585189D+01
      2   0.215504D+01 -0.571452D+00 -0.170580D+01  0.471884D+01 -0.451641D+01
      3  -0.129906D+01  0.407434D+01  0.205356D+01  0.107498D+01  0.352225D+00
               116           117           118           119           120 
      1   0.291646D+01  0.169886D+01  0.651187D+00 -0.213659D+00  0.156656D+01
      2   0.929067D+01  0.154997D+01 -0.255531D+01  0.116475D+01 -0.115672D+01
      3   0.285299D+01 -0.424215D+01 -0.690776D-01 -0.290116D+01 -0.159227D+01
               121           122           123           124           125 
      1  -0.701040D+00 -0.556576D+00 -0.271170D+01  0.484197D+01  0.274601D+01
      2   0.441794D+00  0.402268D+00  0.212008D+01 -0.132475D+02  0.112224D+01
      3   0.235429D+01 -0.723202D+01  0.688574D-01 -0.249847D+01  0.713160D+00
               126           127           128           129           130 
      1  -0.169636D+01  0.192572D+00  0.266953D+00 -0.144821D+01 -0.194051D+00
      2   0.212588D+01 -0.518577D+00 -0.173429D+00  0.166532D+00 -0.159313D+00
      3  -0.518476D+01  0.885655D+01  0.456708D+01  0.268627D-01  0.826526D+01
               131           132           133           134           135 
      1  -0.320576D+00 -0.315412D+01  0.474863D+00  0.148609D+01 -0.212327D+00
      2  -0.438830D+00  0.827904D+00 -0.183930D+01 -0.466205D+00 -0.427618D-01
      3   0.695074D+01  0.483549D+00 -0.254365D+00  0.179341D+00  0.265286D-01
               136           137           138           139           140 
      1  -0.226654D+00  0.177072D+00  0.196625D+01  0.115970D+00  0.181536D+00
      2  -0.465892D+00  0.685543D+00  0.200562D+01  0.503983D+00 -0.194087D+01
      3   0.851803D+00 -0.275266D+01 -0.393543D+00 -0.195599D+01  0.131787D+02
               141           142           143           144           145 
      1  -0.407313D+01 -0.488788D+00  0.169951D+01 -0.347345D+00 -0.133176D+00
      2  -0.333351D+01 -0.323117D+00  0.190006D+00 -0.508594D+00 -0.165660D+01
      3   0.166559D+01 -0.506698D+00  0.173263D+01  0.218550D+00 -0.318149D+00
               146           147           148           149           150 
      1  -0.339910D+00  0.261565D+00 -0.173893D+00 -0.274525D-01 -0.264376D+00
      2  -0.646103D-01  0.650439D+01  0.828823D+00 -0.309968D+00 -0.366589D+00
      3  -0.513490D+01  0.166102D+00 -0.415697D+01  0.324242D+00  0.387935D+00
               151           152           153           154           155 
      1  -0.125838D+00  0.603243D+00 -0.269963D-01  0.217780D+00  0.495984D+00
      2  -0.250128D+01 -0.152386D-01 -0.573729D+00 -0.387612D+00 -0.401880D+00
      3  -0.794984D+00  0.533060D+00  0.223083D+00 -0.131193D+01 -0.426436D+01
               156           157           158           159           160 
      1  -0.212668D+01 -0.137508D+00  0.136465D+00 -0.361567D+01  0.597797D+00
      2   0.238951D+01  0.262984D+00  0.427330D+00  0.327315D+01 -0.532153D+00
      3   0.291730D-01 -0.316592D+01 -0.123805D+02 -0.502441D+00 -0.487931D+00
               161           162           163           164           165 
      1   0.119488D+01 -0.186120D+00  0.201378D+00 -0.163754D+00  0.175167D+01
      2  -0.188157D+00  0.313125D+00  0.973210D+00 -0.636941D+00  0.122089D+00
      3  -0.145750D+01 -0.434857D+00 -0.695370D+01  0.444310D+01  0.614916D+00
               166           167           168           169           170 
      1  -0.321846D+00  0.778591D+00 -0.358893D+01 -0.354180D+00  0.200699D+01
      2  -0.991477D+00  0.106683D+01 -0.495724D+00 -0.180573D+01  0.368829D+00
      3   0.662713D+01 -0.772330D+01 -0.123903D+01  0.747196D+00 -0.166624D+01
               171 
      1  -0.196274D+00
      2  -0.121872D+00
      3  -0.438058D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.180266D+02 -0.257113D+01 -0.542018D+00 -0.494279D+01 -0.218895D+01
      2  -0.751781D+01 -0.285340D+01 -0.301698D+01 -0.166696D+01  0.138069D+02
      3  -0.105088D+02  0.542452D+01  0.355900D+01  0.660976D+01 -0.116179D+02
      4  -0.165527D+02  0.205213D+02 -0.342318D+01  0.254037D+02 -0.270227D+02
      5   0.727250D+01 -0.397329D+01  0.137382D+02 -0.528647D+01  0.719861D+01
      6  -0.301092D+01  0.277468D+01 -0.535263D+01  0.459726D+01 -0.710516D+01
                 6             7             8             9            10 
      1   0.330482D+01  0.867895D+00  0.322296D+00  0.933498D+01  0.112622D+02
      2  -0.253874D+00  0.114350D+00 -0.248403D+01  0.132226D+01 -0.689628D+01
      3  -0.305094D+01 -0.982245D+00  0.216173D+01 -0.106572D+02 -0.436591D+01
      4   0.734674D+01 -0.516285D+01  0.485947D+01 -0.962475D+01  0.392695D+01
      5  -0.499831D+01  0.138621D+02 -0.705727D+01 -0.136462D+02  0.333165D+01
      6   0.964412D+01 -0.549633D+01  0.654670D+01  0.578073D+01 -0.200634D+01
                11            12            13            14            15 
      1  -0.265092D+01  0.207801D+00 -0.644531D+01 -0.773223D+01  0.104909D+01
      2  -0.365465D+00 -0.166003D+01 -0.641893D-01 -0.197756D+00  0.173677D+01
      3   0.301639D+01  0.145223D+01  0.650949D+01  0.792999D+01 -0.278586D+01
      4  -0.184340D+02  0.447575D+00 -0.283697D+02 -0.244570D+00 -0.406584D+01
      5   0.740813D+00 -0.100602D+02  0.273547D+01 -0.339938D+01  0.957368D+01
      6  -0.172770D+01  0.118619D+01 -0.189995D+01  0.180964D+01 -0.563151D+01
                16            17            18            19            20 
      1  -0.803206D+01  0.143157D+01  0.102716D+01 -0.110355D+01 -0.182677D+01
      2  -0.595629D+01  0.609076D+01  0.114094D+02 -0.452767D+00  0.110898D+01
      3   0.139884D+02 -0.752233D+01 -0.124366D+02  0.155632D+01  0.717787D+00
      4   0.297293D+01 -0.755405D+01  0.146804D+02  0.158226D+00 -0.164627D+01
      5  -0.170129D+02  0.135043D+02  0.254800D+02  0.136700D+01  0.210312D+00
      6   0.683225D+01 -0.961210D+00 -0.536852D+01 -0.352699D+00 -0.126443D+01
                21            22            23            24            25 
      1   0.548617D+01  0.430584D-01 -0.259071D+01 -0.348474D+00  0.518759D+01
      2  -0.138586D+00 -0.509899D+00  0.197508D+01 -0.238579D+01 -0.252194D+01
      3  -0.534759D+01  0.466840D+00  0.615633D+00  0.273426D+01 -0.266565D+01
      4  -0.860260D+00  0.714238D+00 -0.796742D+00  0.180145D+01 -0.412482D+01
      5  -0.350558D+01 -0.196680D-01  0.132484D+01  0.178327D+01  0.435004D+01
      6   0.307529D+01  0.423282D+00 -0.131240D+01  0.239631D+01 -0.640130D+00
                26            27            28            29            30 
      1   0.219740D+01 -0.131239D+02  0.423967D+01 -0.847630D+00 -0.434010D+01
      2  -0.127364D+01 -0.773722D+01 -0.613938D+01  0.133200D+01  0.497233D+01
      3  -0.923760D+00  0.208611D+02  0.189971D+01 -0.484366D+00 -0.632230D+00
      4   0.542538D+01 -0.189657D+01 -0.319089D+01  0.649945D+01  0.272067D+01
      5  -0.375511D+01  0.227667D+02 -0.103680D+02  0.267204D+01  0.119918D+02
      6   0.427373D+01 -0.129416D+02  0.266415D+01 -0.477887D+00 -0.143423D+01
                31            32            33            34            35 
      1   0.252038D-01 -0.223410D+01 -0.282151D+01 -0.300272D+01 -0.338488D+01
      2   0.154746D+01 -0.745518D+00 -0.967932D+00  0.952451D+01 -0.214151D+01
      3  -0.157267D+01  0.297961D+01  0.378944D+01 -0.652179D+01  0.552639D+01
      4   0.950941D+01 -0.596827D+01 -0.622961D+01  0.392307D+01 -0.691092D+01
      5   0.373086D+01 -0.564702D+01 -0.768652D+01  0.182828D+02 -0.828691D+01
      6  -0.222457D+01  0.419855D+01  0.846584D+01 -0.453167D+01  0.572925D+01
                36            37            38            39            40 
      1  -0.105486D+02 -0.528256D+02  0.108237D+01  0.649155D+01  0.143750D+02
      2  -0.159197D+02  0.330626D+02  0.473215D+01 -0.436310D+01 -0.324371D+01
      3   0.264683D+02  0.197630D+02 -0.581452D+01 -0.212846D+01 -0.111313D+02
      4  -0.948353D+01  0.263648D+01  0.172220D+02 -0.890667D-01  0.202354D+02
      5  -0.321092D+02  0.733885D+01 -0.133194D+01  0.784508D+01 -0.166352D+01
      6   0.996368D+01  0.280421D+01 -0.117079D+01  0.568688D+01 -0.704696D+00
                41            42            43            44            45 
      1   0.176603D+02 -0.514233D+01  0.746566D+01 -0.360540D+01  0.169568D+02
      2  -0.800716D+01  0.657498D+01 -0.265198D+01  0.616335D+01 -0.120529D+02
      3  -0.965315D+01 -0.143265D+01 -0.481368D+01 -0.255795D+01 -0.490390D+01
      4   0.415131D+01  0.698858D+01  0.189447D+01  0.816237D+01 -0.153055D+02
      5   0.709712D+01 -0.177074D+02  0.356606D+01 -0.179168D+02 -0.178712D+02
      6   0.793233D+01 -0.114801D+02  0.846812D+00 -0.133280D+02 -0.671627D+01
                46            47            48            49            50 
      1  -0.229106D+02 -0.370252D+00 -0.419861D+00  0.264925D+01 -0.952615D+01
      2   0.818732D+01  0.612482D+00 -0.362847D+00  0.525390D+00  0.147003D+02
      3   0.147233D+02 -0.242231D+00  0.782708D+00 -0.317464D+01 -0.517414D+01
      4  -0.730448D+01  0.503498D+01  0.194934D-01 -0.139397D+02  0.290260D+01
      5  -0.263262D+01  0.338462D-01  0.248856D+01 -0.160010D+01  0.107949D+01
      6  -0.231449D+00 -0.670205D+00 -0.154023D+01  0.154501D+01  0.211925D+01
                51            52            53            54            55 
      1  -0.198540D+00  0.339193D+01  0.288217D-01 -0.104683D+02  0.357204D+01
      2   0.244734D+01 -0.126395D+01  0.713305D+00 -0.385119D+01 -0.278676D+01
      3  -0.224880D+01 -0.212798D+01 -0.742127D+00  0.143195D+02 -0.785278D+00
      4   0.135865D+01 -0.961868D+00  0.183847D+01 -0.953487D+00  0.108459D+01
      5  -0.165810D+01  0.330738D+01 -0.110436D+01 -0.822730D-01  0.330636D+01
      6  -0.357862D+01  0.572793D+00  0.302561D+01 -0.190968D+01  0.290137D+01
                56            57            58            59            60 
      1   0.251689D+01  0.497177D+01  0.123859D+01 -0.729833D+01 -0.441428D+01
      2  -0.232571D+01 -0.171337D+01 -0.155726D-01  0.745115D+01  0.441096D+01
      3  -0.191182D+00 -0.325840D+01 -0.122302D+01 -0.152818D+00  0.332564D-02
      4  -0.106069D+01  0.220682D+01  0.277731D+01  0.853646D+01  0.599832D+01
      5   0.754839D+00  0.252702D+00  0.162792D+01  0.619955D+01  0.879847D+01
      6  -0.363851D+00 -0.166199D+01  0.874868D+00  0.621195D+01  0.105318D+02
                61            62            63            64            65 
      1   0.756954D+01 -0.392454D+01 -0.129167D+02  0.264226D+00  0.519182D+01
      2  -0.383062D+01  0.401232D+01  0.478503D-01  0.661521D+00 -0.443852D+01
      3  -0.373892D+01 -0.877750D-01  0.128689D+02 -0.925747D+00 -0.753297D+00
      4   0.756594D+01  0.101072D+02  0.995618D+01  0.822657D+00 -0.422550D+00
      5   0.659930D+01  0.115904D+02  0.295909D+02 -0.282915D+01 -0.172359D+00
      6   0.171029D+01  0.110846D+02  0.192258D+02 -0.313816D+01  0.184846D+01
                66            67            68            69            70 
      1  -0.536472D+01  0.428902D+01 -0.163046D+02  0.870958D+01 -0.621458D+01
      2   0.272864D+01 -0.185066D+01  0.224939D+02 -0.971785D+01  0.272909D+01
      3   0.263608D+01 -0.243836D+01 -0.618933D+01  0.100827D+01  0.348549D+01
      4  -0.153481D+01  0.592187D+01  0.225668D+02 -0.110279D+02 -0.612998D+01
      5  -0.972686D+00 -0.184055D+01 -0.114931D+02  0.117094D+02  0.316380D+01
      6  -0.287132D+01 -0.818218D+00 -0.136770D+02  0.125850D+02  0.502246D+00
                71            72            73            74            75 
      1   0.853504D+01 -0.122344D+02  0.868396D+02  0.759672D+00 -0.517742D+01
      2  -0.897513D+01  0.581942D+01 -0.469140D+02  0.162465D+01  0.343410D+01
      3   0.440089D+00  0.641496D+01 -0.399255D+02 -0.238432D+01  0.174332D+01
      4  -0.135427D+02  0.107711D+02  0.175913D+02  0.103842D+02 -0.106299D+01
      5   0.122104D+02 -0.128112D+02 -0.781223D+01 -0.133358D+00  0.105130D+02
      6   0.133061D+02 -0.133133D+02 -0.187980D+01 -0.306495D+00  0.235202D+01
                76            77            78            79            80 
      1  -0.118832D+02  0.628154D+01  0.114344D+01 -0.588111D+01  0.514590D+00
      2   0.851835D+01 -0.309754D+01 -0.132951D+01  0.399569D+01 -0.111126D+01
      3   0.336486D+01 -0.318401D+01  0.186078D+00  0.188542D+01  0.596671D+00
      4   0.798755D+01 -0.168935D+01 -0.154194D+01 -0.139496D+01 -0.235677D+01
      5   0.838364D+00 -0.179620D+01 -0.869629D+00  0.126443D+02  0.167637D+01
      6  -0.205026D+00 -0.692167D+00  0.166456D+01  0.208513D+01  0.240689D+01
                81            82            83            84            85 
      1   0.662996D+01  0.517158D+01 -0.162431D+02 -0.296154D+01  0.655493D+00
      2  -0.470669D+01 -0.506613D+01  0.123214D+02  0.134861D+01 -0.110061D+02
      3  -0.192328D+01 -0.105453D+00  0.392166D+01  0.161293D+01  0.103506D+02
      4   0.279331D+01 -0.108163D+02 -0.114800D+02  0.851856D+00  0.696849D+01
      5  -0.155469D+01 -0.128078D+01  0.121393D+01 -0.278911D+01  0.196009D+00
      6   0.243888D+00  0.274970D+01  0.175594D+01  0.476358D+01 -0.414377D+01
                86            87            88            89            90 
      1   0.458422D+01  0.188555D+01 -0.545636D+00  0.439607D+01 -0.141365D+02
      2  -0.908960D+01 -0.150540D+01 -0.119873D+01 -0.513358D+01  0.196431D+01
      3   0.450538D+01 -0.380151D+00  0.174437D+01  0.737503D+00  0.121722D+02
      4  -0.139640D+02 -0.134971D+01  0.379535D-01  0.196909D+01 -0.348861D+01
      5  -0.147370D+01 -0.547761D+00  0.309105D+01 -0.346850D+01  0.183653D+01
      6  -0.269302D+01  0.621996D+01  0.397354D+01  0.143842D+02 -0.102935D+01
                91            92            93            94            95 
      1   0.311268D+01  0.211052D+02  0.781221D+00 -0.229384D+02  0.104016D+02
      2  -0.426312D+01 -0.139045D+02 -0.514087D+00  0.218771D+02 -0.151943D+02
      3   0.115043D+01 -0.720074D+01 -0.267133D+00  0.106139D+01  0.479275D+01
      4   0.154823D+02 -0.578015D+01 -0.482943D+01  0.763919D+01  0.680310D+01
      5   0.269171D+01 -0.524659D+01  0.110040D+01 -0.601900D+00  0.333793D+01
      6  -0.467136D+01  0.248520D+01 -0.367382D+01  0.260393D+01 -0.609463D+01
                96            97            98            99           100 
      1   0.156923D+01 -0.115630D+01 -0.284326D+01 -0.423198D+01 -0.132013D+02
      2  -0.404749D+01  0.413445D+01 -0.283590D+01 -0.431377D+01  0.824263D+01
      3   0.247827D+01 -0.297815D+01  0.567916D+01  0.854575D+01  0.495862D+01
      4   0.338140D+01 -0.482174D+01  0.706266D+01 -0.147246D+02  0.133488D+01
      5  -0.100114D+02  0.128874D+02 -0.152172D+02 -0.430467D+01  0.762260D+01
      6   0.502551D+01 -0.674222D+01  0.142682D+02  0.224887D+01  0.445613D+00
               101           102           103           104           105 
      1   0.156640D+01  0.540013D+01 -0.267124D+01 -0.219067D+02 -0.362213D+01
      2  -0.111298D+01 -0.332166D+01  0.195991D+01  0.190964D+02  0.513441D+01
      3  -0.453424D+00 -0.207847D+01  0.711330D+00  0.281033D+01 -0.151228D+01
      4   0.215772D+02  0.556886D+00 -0.211870D+02  0.559429D+01  0.325859D+01
      5   0.571925D+00  0.143453D+02 -0.641745D+01  0.306114D+01  0.163173D+00
      6  -0.579298D+00 -0.106746D+01  0.296010D+01  0.187496D+01 -0.384742D+01
               106           107           108           109           110 
      1   0.827128D+01 -0.429649D+01  0.135584D+02  0.246172D+01 -0.226165D+02
      2  -0.322344D+01  0.371616D+01 -0.180344D+02 -0.474571D+01  0.135723D+02
      3  -0.504784D+01  0.580324D+00  0.447597D+01  0.228399D+01  0.904420D+01
      4  -0.701943D+01 -0.792154D+00 -0.760539D+00 -0.194368D+02  0.556600D+00
      5   0.343778D+02 -0.131337D+00 -0.421555D+01 -0.635576D+00  0.407962D+01
      6  -0.916343D+00  0.394011D+01 -0.195224D+01  0.283375D+01  0.240736D+01
               111           112           113           114           115 
      1  -0.302832D+01  0.233875D+02  0.755836D+01  0.548722D+00  0.477859D+01
      2   0.440256D+00 -0.229230D+02 -0.128930D+02 -0.367393D+00 -0.532319D+01
      3   0.258806D+01 -0.464446D+00  0.533460D+01 -0.181329D+00  0.544600D+00
      4   0.373494D+01  0.444651D+01 -0.138167D+02 -0.521795D+01  0.210008D+01
      5   0.475194D+01 -0.192757D+01 -0.499566D+01  0.979759D+01  0.165370D+02
      6   0.480078D+01 -0.420230D+01 -0.303658D+01  0.481418D+01  0.767705D+01
               116           117           118           119           120 
      1   0.524590D+01 -0.319015D+00  0.794545D+01  0.137088D+02 -0.180717D+00
      2  -0.592885D+01 -0.632641D+01 -0.636165D+01 -0.103332D+02  0.563596D+00
      3   0.682951D+00  0.664543D+01 -0.158380D+01 -0.337561D+01 -0.382880D+00
      4  -0.473811D+01  0.138260D+02  0.130980D+02 -0.160690D+02 -0.271731D+01
      5   0.147924D+02  0.360152D+01  0.789371D+00 -0.300875D+01 -0.378905D+01
      6   0.127565D+02 -0.208927D+01 -0.277490D+01  0.143912D+01 -0.313220D+01
               121           122           123           124           125 
      1  -0.100709D+01  0.805680D+01  0.332852D+01 -0.121697D+01  0.883581D-01
      2   0.847068D+01 -0.121696D+02 -0.413039D+01  0.303969D+01 -0.396519D+01
      3  -0.746358D+01  0.411283D+01  0.801872D+00 -0.182272D+01  0.387683D+01
      4   0.106278D+02  0.128731D+02  0.988217D+00  0.940060D+00  0.332810D+01
      5   0.145468D+01  0.811727D+00  0.173136D+01  0.652220D+00  0.468334D+01
      6   0.267828D+01 -0.582129D+01  0.488262D+01 -0.407645D+01  0.142222D+02
               126           127           128           129           130 
      1  -0.150455D+02 -0.361751D+01 -0.619621D+01 -0.106077D+00 -0.746087D+01
      2   0.119686D+01  0.638880D+01  0.917395D+01  0.219467D+00  0.112225D+02
      3   0.138486D+02 -0.277130D+01 -0.297773D+01 -0.113390D+00 -0.376158D+01
      4   0.510950D+01  0.785747D+01  0.767033D+01  0.468202D+00  0.754208D+01
      5   0.437564D+01  0.488506D+00  0.576951D+00  0.660294D+00  0.528344D+00
      6   0.447680D+01 -0.875838D-01 -0.574439D-01  0.171722D+01  0.605273D+00
               131           132           133           134           135 
      1  -0.236583D+02 -0.142239D+01 -0.765391D+00 -0.195153D+01 -0.107975D+01
      2   0.328057D+02  0.126498D+01  0.825985D+00  0.240611D+01  0.168724D+01
      3  -0.914740D+01  0.157410D+00 -0.605948D-01 -0.454587D+00 -0.607488D+00
      4   0.618640D+01  0.235242D+00  0.423741D+00 -0.243219D+00  0.148490D+01
      5   0.881638D+00  0.808685D+00  0.609340D+00  0.917944D+00 -0.412214D-01
      6   0.151110D+01  0.501846D+01  0.828434D+00  0.204193D+01  0.795014D+00
               136           137           138           139           140 
      1   0.858074D+01 -0.686240D+01 -0.928670D+00 -0.115690D+01 -0.104466D+02
      2   0.242760D+01 -0.455580D+01 -0.238063D-01 -0.108975D+02  0.325724D+02
      3  -0.110083D+02  0.114182D+02  0.952477D+00  0.120544D+02 -0.221258D+02
      4  -0.231517D+02  0.259749D+02  0.399514D+01  0.275196D+02 -0.483375D+02
      5  -0.340779D+01  0.354262D+01  0.464364D+01  0.334408D+01 -0.534990D+01
      6   0.257895D+01 -0.292019D+01 -0.305324D+01 -0.348322D+01  0.750849D+01
               141           142           143           144           145 
      1  -0.166713D+01 -0.774596D+00 -0.715994D+00 -0.107757D+01  0.100648D+03
      2   0.296876D+01 -0.108305D+01  0.340413D+01  0.233999D+01 -0.580751D+02
      3  -0.130164D+01  0.185765D+01 -0.268814D+01 -0.126243D+01 -0.425733D+02
      4  -0.627624D+01  0.515295D+01 -0.768390D+01 -0.351907D+01 -0.595938D+01
      5  -0.569683D+01  0.204683D+01 -0.260924D+01 -0.176270D+01 -0.981708D+01
      6   0.753662D+01 -0.210282D+01  0.401785D+01  0.212878D+01 -0.115387D+01
               146           147           148           149           150 
      1  -0.281223D+01 -0.693685D+01 -0.262719D+01  0.969107D+01  0.839086D+00
      2   0.134758D+01  0.490159D+01  0.113116D+01 -0.480662D+01 -0.694830D+00
      3   0.146465D+01  0.203526D+01  0.149603D+01 -0.488446D+01 -0.144256D+00
      4   0.853996D+01  0.241696D+00  0.151850D+02 -0.147021D+01 -0.127860D+01
      5   0.608150D-01  0.115086D+02  0.161934D+01 -0.115502D+01 -0.525279D+00
      6  -0.517800D+00 -0.186821D+00 -0.894590D+00 -0.756797D-01  0.143489D+01
               151           152           153           154           155 
      1  -0.868520D+01  0.932597D+00  0.455994D+01  0.157271D+02  0.108863D+02
      2   0.528015D+01 -0.618581D+00 -0.282473D+01 -0.766543D+00  0.294961D+01
      3   0.340505D+01 -0.314016D+00 -0.173521D+01 -0.149606D+02 -0.138359D+02
      4   0.192562D+01 -0.947958D+00 -0.389610D+00  0.287804D+02  0.293637D+02
      5   0.451925D+01 -0.239439D+00 -0.217373D+01  0.199442D+01  0.151845D+01
      6  -0.147929D-01  0.725251D+00  0.262676D+00  0.453929D+00  0.234143D+00
               156           157           158           159           160 
      1   0.686153D+00  0.563601D+01 -0.166840D+01  0.122369D+00 -0.545289D+00
      2  -0.237726D+00  0.879022D+01  0.236526D+02  0.397246D+00  0.993616D+00
      3  -0.448427D+00 -0.144262D+02 -0.219842D+02 -0.519616D+00 -0.448327D+00
      4   0.106823D+01  0.318690D+02  0.475215D+02  0.275196D+01  0.161962D+01
      5   0.494911D+01  0.290807D+01  0.372354D+01  0.550905D+01  0.216252D+01
      6   0.303390D+01  0.154241D+01  0.234013D+01  0.605549D+01  0.185153D+01
               161           162           163           164           165 
      1  -0.815608D+00 -0.400342D+00 -0.564000D+01  0.798293D+01  0.193308D+01
      2   0.169544D+01  0.162422D+01  0.673803D+01 -0.978720D+01 -0.124219D+01
      3  -0.879830D+00 -0.122387D+01 -0.109802D+01  0.180427D+01 -0.690886D+00
      4   0.302635D+01  0.342879D+01 -0.500865D+01  0.668286D+01  0.101736D+01
      5   0.245034D+01  0.735746D+00 -0.441013D+00  0.701953D+00  0.911479D+00
      6   0.320704D+01  0.936361D+00  0.187541D+01 -0.288882D+01 -0.264195D+01
               166           167           168           169           170 
      1   0.793228D+01 -0.287688D+02 -0.473816D+01  0.130156D+01 -0.402950D+01
      2  -0.100617D+02  0.378265D+02  0.421411D+01 -0.157013D+01  0.439155D+01
      3   0.212947D+01 -0.905777D+01  0.524048D+00  0.268577D+00 -0.362046D+00
      4   0.556442D+01 -0.247288D+01 -0.142611D+00  0.105923D+01 -0.100929D+01
      5   0.374092D+00  0.594454D+00 -0.173509D+00  0.768929D+00 -0.686785D+00
      6  -0.227538D+01  0.781338D+01  0.684584D+01 -0.100684D+01  0.348799D+01
               171 
      1  -0.220710D+01
      2   0.263310D+01
      3  -0.426000D+00
      4  -0.190398D+01
      5  -0.835733D+00
      6   0.206940D+01
 Leave Link  716 at Thu Aug 12 22:01:26 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126415D+03  0.135248D+01 -0.302130D+01
      2   0.135248D+01  0.105135D+03  0.281182D+01
      3  -0.302130D+01  0.281182D+01  0.685835D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.112940D+01 -0.380742D+01 -0.620385D+01
      2   0.121407D+02 -0.679406D+01  0.428065D+01
      3   0.112732D+02  0.387955D+02  0.655366D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.910961D+02 -0.892397D+01  0.109838D+02
      2   0.411675D+02  0.229543D+02 -0.415689D+01
      3   0.499286D+02 -0.140303D+02 -0.682692D+01
      4   0.229758D+02 -0.696520D+02 -0.165924D+02
      5   0.575114D+01 -0.167651D+02  0.112844D+02
      6  -0.566163D+01 -0.302441D+01  0.131760D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.401437D+01 -0.250692D+01  0.107136D+01 -0.431921D+01  0.323206D+01
      2  -0.250692D+01  0.200109D+01 -0.836518D+00  0.323206D+01 -0.459185D+01
      3   0.107136D+01 -0.836518D+00  0.152314D+01 -0.607683D+00  0.143712D+01
                 6             7             8             9            10 
      1  -0.607683D+00 -0.138319D+00 -0.605929D+00  0.148627D+01 -0.301036D+01
      2   0.143712D+01 -0.605929D+00  0.345751D+00 -0.117829D+01  0.709758D+00
      3  -0.705330D+00  0.148627D+01 -0.117829D+01 -0.438570D+01  0.880897D+00
                11            12            13            14            15 
      1   0.709758D+00  0.880897D+00  0.171264D+01 -0.421309D+01  0.682374D-01
      2  -0.222104D+01  0.246776D+00 -0.421309D+01  0.240219D-01 -0.699744D+00
      3   0.246776D+00 -0.790231D+00  0.682374D-01 -0.699744D+00  0.203616D+01
                16            17            18            19            20 
      1   0.244459D+01 -0.269418D-02 -0.324286D+01 -0.739238D+00  0.178554D+00
      2  -0.269418D-02 -0.833930D+00  0.280944D+01  0.178554D+00 -0.214753D+00
      3  -0.324286D+01  0.280944D+01  0.645226D+01  0.265365D+00  0.287302D+00
                21            22            23            24            25 
      1   0.265365D+00  0.504081D+00  0.926563D-01  0.437892D-01  0.171725D+01
      2   0.287302D+00  0.926563D-01 -0.441837D+00  0.526958D+00 -0.402471D+00
      3  -0.137748D+01  0.437892D-01  0.526958D+00  0.399570D+00  0.455552D+00
                26            27            28            29            30 
      1  -0.402471D+00  0.455552D+00  0.196141D+01 -0.489573D+00 -0.187706D+01
      2   0.155409D+01 -0.102480D+01 -0.489573D+00  0.693999D+00  0.347166D+00
      3  -0.102480D+01  0.638776D+01 -0.187706D+01  0.347166D+00  0.139112D+01
                31            32            33            34            35 
      1  -0.170783D+01  0.160671D+01  0.595009D+00 -0.449467D+01  0.676603D+00
      2   0.160671D+01 -0.125837D+01 -0.134367D+01  0.676603D+00 -0.152482D+01
      3   0.595009D+00 -0.134367D+01 -0.178619D+01  0.290176D+01 -0.194141D+01
                36            37            38            39            40 
      1   0.290176D+01 -0.737121D+01  0.206391D+01  0.847313D+00  0.417843D+01
      2  -0.194141D+01  0.206391D+01  0.260914D+01 -0.309647D+00  0.284310D+01
      3  -0.767200D+01  0.847313D+00 -0.309647D+00  0.142415D+01 -0.251289D+00
                41            42            43            44            45 
      1   0.284310D+01 -0.251289D+00  0.700588D+00  0.943500D-01  0.665470D+00
      2  -0.411301D+00  0.155192D+01  0.943500D-01  0.175448D+01 -0.379543D+01
      3   0.155192D+01 -0.388502D+01  0.665470D+00 -0.379543D+01 -0.363210D+01
                46            47            48            49            50 
      1   0.155741D+02 -0.176657D+01 -0.838063D+00 -0.160062D+01 -0.166901D+01
      2  -0.176657D+01  0.270416D+01  0.247783D-01 -0.166901D+01 -0.166645D+00
      3  -0.838063D+00  0.247783D-01  0.183226D+01 -0.367874D+00  0.138225D+00
                51            52            53            54            55 
      1  -0.367874D+00 -0.601721D+00 -0.346397D+00  0.372086D+01  0.439495D+00
      2   0.138225D+00 -0.346397D+00 -0.771172D-01 -0.341340D+00  0.152885D+00
      3  -0.372570D+00  0.372086D+01 -0.341340D+00 -0.142817D+01  0.849206D+00
                56            57            58            59            60 
      1   0.152885D+00  0.849206D+00  0.128938D+00  0.114666D+00  0.151671D+00
      2  -0.521558D+00 -0.669018D-01  0.114666D+00  0.187713D+01  0.129440D+01
      3  -0.669018D-01 -0.631030D+00  0.151671D+00  0.129440D+01  0.174431D+01
                61            62            63            64            65 
      1   0.202761D+01  0.713667D+00  0.559734D+00 -0.156299D+00  0.418105D+00
      2   0.713667D+00  0.202466D+01  0.232628D+01  0.418105D+00 -0.776339D+00
      3   0.559734D+00  0.232628D+01  0.616690D+01 -0.750549D+00  0.293576D+00
                66            67            68            69            70 
      1  -0.750549D+00  0.102944D+01  0.218674D+00 -0.700942D-01 -0.161659D+01
      2   0.293576D+00  0.218674D+00  0.510207D+01 -0.251927D+01 -0.467364D+00
      3  -0.610745D+00 -0.700942D-01 -0.251927D+01  0.252783D+01  0.539709D-01
                71            72            73            74            75 
      1  -0.467364D+00  0.539709D-01  0.123378D+02  0.378907D+00 -0.763675D+00
      2  -0.297683D+01  0.263546D+01  0.378907D+00  0.101793D+01 -0.112869D-01
      3   0.263546D+01 -0.297430D+01 -0.763675D+00 -0.112869D-01  0.110545D+01
                76            77            78            79            80 
      1  -0.178706D+01  0.907899D+00  0.667660D-01 -0.964699D+00 -0.613932D-01
      2   0.907899D+00 -0.412856D+00 -0.290133D+00 -0.613932D-01 -0.443897D+00
      3   0.667660D-01 -0.290133D+00  0.215050D-01  0.137076D+01  0.377499D+00
                81            82            83            84            85 
      1   0.137076D+01 -0.468257D+01 -0.920940D+00  0.434907D-01  0.744203D+01
      2   0.377499D+00 -0.920940D+00  0.272259D+01  0.614649D+00  0.177236D+00
      3  -0.693742D-01  0.434907D-01  0.614649D+00  0.146428D+01 -0.139588D+00
                86            87            88            89            90 
      1   0.177236D+00 -0.139588D+00  0.145768D+01  0.358391D-01  0.157771D+01
      2   0.156194D+01 -0.593812D+00  0.358391D-01 -0.982969D+00  0.344909D+01
      3  -0.593812D+00  0.207038D+01  0.157771D+01  0.344909D+01  0.413800D+00
                91            92            93            94            95 
      1   0.351181D+01  0.866830D-01 -0.297312D+00  0.507136D+01  0.220579D+00
      2   0.866830D-01 -0.208583D+01  0.342226D+00  0.220579D+00  0.101820D+01
      3  -0.297312D+00  0.342226D+00 -0.919210D+00  0.152888D+00 -0.550944D+00
                96            97            98            99           100 
      1   0.152888D+00 -0.654011D-01  0.655819D+00 -0.207482D+01 -0.491008D+01
      2  -0.550944D+00  0.655819D+00 -0.612242D+00  0.351678D+01 -0.476122D-01
      3   0.193524D+01 -0.207482D+01  0.351678D+01  0.145848D+01 -0.471248D+00
               101           102           103           104           105 
      1  -0.476122D-01 -0.471248D+00  0.358439D+00  0.310038D+00  0.532020D+00
      2  -0.321415D+01 -0.737679D-01  0.310038D+00 -0.470317D+00 -0.261774D+00
      3  -0.737679D-01 -0.242101D+01  0.532020D+00 -0.261774D+00 -0.839356D-02
               106           107           108           109           110 
      1  -0.447259D+00  0.597634D+00 -0.512650D+01  0.220786D+01 -0.215273D+00
      2   0.597634D+00  0.206375D+00  0.754561D-01 -0.215273D+00 -0.244092D+01
      3  -0.512650D+01  0.754561D-01  0.109043D+01 -0.465117D+00 -0.559548D+00
               111           112           113           114           115 
      1  -0.465117D+00 -0.499327D+01  0.655071D+00  0.605252D+00 -0.116737D+01
      2  -0.559548D+00  0.655071D+00 -0.264841D+00  0.658905D+00  0.149001D+00
      3  -0.139006D+01  0.605252D+00  0.658905D+00 -0.196816D+01 -0.265819D+01
               116           117           118           119           120 
      1   0.149001D+00 -0.265819D+01 -0.380968D+01  0.176844D+01  0.264413D+00
      2   0.112885D+01 -0.324391D+01  0.176844D+01  0.266557D+01 -0.163690D+00
      3  -0.324391D+01 -0.282693D+00  0.264413D+00 -0.163690D+00  0.100741D+01
               121           122           123           124           125 
      1  -0.640063D+01  0.595786D+00 -0.160504D+00  0.721214D-02 -0.501896D+00
      2   0.595786D+00 -0.144172D+01  0.522828D+00 -0.501896D+00  0.159965D+00
      3  -0.160504D+00  0.522828D+00 -0.188797D+01  0.923217D+00 -0.351754D+01
               126           127           128           129           130 
      1   0.923217D+00  0.291549D+01  0.225194D+01  0.531689D-01  0.242820D+01
      2  -0.351754D+01  0.225194D+01  0.230714D+01  0.432070D-01  0.276023D+01
      3  -0.160980D+01  0.531689D-01  0.432070D-01  0.231761D+00  0.155165D+00
               131           132           133           134           135 
      1   0.276023D+01  0.155165D+00 -0.122325D+00  0.142260D+00 -0.414574D-01
      2   0.668475D+01  0.382046D+00  0.142260D+00  0.557655D+00  0.141598D+00
      3   0.382046D+00  0.679946D+00 -0.414574D-01  0.141598D+00  0.874788D-01
               136           137           138           139           140 
      1  -0.295325D+01  0.303015D+01  0.531015D+00  0.267594D+01 -0.400852D+01
      2   0.303015D+01 -0.311047D+01 -0.539132D+00 -0.400852D+01  0.869448D+01
      3   0.531015D+00 -0.539132D+00 -0.553742D+00 -0.572407D+00  0.117979D+01
               141           142           143           144           145 
      1  -0.572407D+00  0.627369D+00 -0.751539D+00 -0.247975D+00 -0.132779D+02
      2   0.117979D+01 -0.751539D+00  0.136697D+01  0.372481D+00  0.409921D+00
      3   0.108657D+01 -0.247975D+00  0.372481D+00  0.244123D+00  0.110831D+01
               146           147           148           149           150 
      1   0.409921D+00  0.110831D+01  0.432268D+00 -0.163975D+01 -0.211096D+00
      2  -0.791546D+00 -0.646127D-02 -0.163975D+01  0.128654D+00  0.147311D+00
      3  -0.646127D-02 -0.114524D+01 -0.211096D+00  0.147311D+00  0.607912D-01
               151           152           153           154           155 
      1   0.122719D+01 -0.204536D+00 -0.235547D+00 -0.406898D+01 -0.360446D+01
      2  -0.204536D+00  0.811438D-01  0.224978D-01 -0.360446D+01 -0.361966D+01
      3  -0.235547D+00  0.224978D-01  0.180340D+00 -0.136721D+00 -0.905275D-01
               156           157           158           159           160 
      1  -0.136721D+00 -0.338365D+01 -0.450277D+01 -0.349329D+00 -0.136747D+00
      2  -0.905275D-01 -0.450277D+01 -0.786073D+01 -0.470271D+00 -0.242583D+00
      3  -0.566634D+00 -0.349329D+00 -0.470271D+00 -0.887969D+00 -0.162340D+00
               161           162           163           164           165 
      1  -0.242583D+00 -0.162340D+00  0.201717D+01 -0.189791D+01 -0.314789D+00
      2  -0.622599D+00 -0.335863D+00 -0.189791D+01  0.227464D+01  0.457798D+00
      3  -0.335863D+00 -0.153118D+00 -0.314789D+00  0.457798D+00  0.425812D+00
               166           167           168           169           170 
      1  -0.176951D+01  0.229843D+01  0.359066D+00 -0.454377D+00  0.521629D+00
      2   0.229843D+01 -0.777079D+01 -0.110989D+01  0.521629D+00 -0.110554D+01
      3   0.359066D+00 -0.110989D+01 -0.106069D+01  0.743839D-01 -0.347983D+00
               171 
      1   0.743839D-01
      2  -0.347983D+00
      3  -0.274319D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.131635D+01  0.934863D+00  0.318095D+01 -0.210826D+01  0.687692D+00
      2   0.860234D+00 -0.262315D+01  0.939612D+01  0.431755D-01  0.320942D+01
      3   0.162828D+01 -0.956941D+01  0.169490D+01 -0.944229D+00  0.101866D+02
                 6             7             8             9            10 
      1  -0.672757D+01  0.342443D+00  0.141056D+01 -0.653316D+01 -0.533788D-01
      2  -0.240109D+01  0.310469D+01 -0.161906D+01 -0.101272D+02  0.187709D+01
      3  -0.257523D+01  0.111214D+01 -0.198354D+01  0.107058D+01 -0.143984D+01
                11            12            13            14            15 
      1   0.534912D+00  0.100928D-01  0.304959D+01  0.147257D+01 -0.438585D+00
      2   0.282982D+00 -0.152193D+01 -0.719580D+00 -0.365469D+01  0.377274D+01
      3   0.208724D+01  0.441653D-01  0.146387D+02  0.415923D+00  0.180585D+01
                16            17            18            19            20 
      1   0.189083D+00  0.406685D+01 -0.211873D+01  0.420889D+00 -0.398021D+00
      2  -0.122763D+02  0.473448D+01  0.978655D+01  0.291286D+01  0.205262D+00
      3   0.546893D+00  0.359969D+01 -0.687540D+01  0.115847D+01  0.925197D+00
                21            22            23            24            25 
      1  -0.215196D+01 -0.288473D+00  0.120361D+01  0.327704D+00  0.174432D+00
      2  -0.342372D+01 -0.113413D+01  0.904213D+00  0.106971D+01 -0.233237D+01
      3  -0.903652D+00  0.106987D+01  0.446263D+00 -0.594758D+00 -0.347214D+00
                26            27            28            29            30 
      1   0.817669D+00  0.966686D+01 -0.816152D-01 -0.132651D+01 -0.869076D-01
      2  -0.231436D+01  0.148057D+02 -0.213596D+01  0.543362D+00  0.279793D+01
      3  -0.248353D+01  0.310988D+01  0.689138D+00 -0.325792D+01 -0.395844D+00
                31            32            33            34            35 
      1  -0.157887D+01  0.112397D+01 -0.437536D+00  0.116513D+00  0.232429D+01
      2   0.222647D+00 -0.109871D+01 -0.313821D+01  0.106155D+01 -0.308491D+01
      3  -0.213886D+01  0.226727D+01  0.259970D+01 -0.246124D+00  0.279183D+01
                36            37            38            39            40 
      1  -0.169578D+00 -0.199429D+01 -0.508012D+00 -0.251040D+01 -0.117061D+01
      2  -0.127050D+02  0.281879D+01  0.202338D+00  0.635017D+01  0.639173D+00
      3   0.401527D+01 -0.174961D+02 -0.902226D+01  0.230287D+01 -0.170565D+01
                41            42            43            44            45 
      1  -0.392739D+01  0.273914D+01  0.756546D+00  0.723274D+01  0.427633D+01
      2   0.502891D+01 -0.104156D+02 -0.111470D+01 -0.107942D+02 -0.930303D+01
      3   0.612111D+01 -0.526675D+01  0.214816D+01 -0.493043D+01  0.137348D+02
                46            47            48            49            50 
      1   0.235762D+00  0.101165D+01  0.140697D+01  0.272348D+01 -0.166535D+01
      2  -0.193369D+01 -0.445317D+00 -0.641992D+00 -0.370318D+00 -0.257512D+00
      3   0.588723D+01  0.531551D+01 -0.386644D-01  0.147566D+02  0.591015D+00
                51            52            53            54            55 
      1   0.172219D+01  0.532973D+00  0.956206D+01  0.140003D+01 -0.857929D+00
      2  -0.614802D+00 -0.125441D+02 -0.617391D+00 -0.906762D-01  0.311268D+01
      3  -0.608588D+00 -0.150775D+01 -0.259851D+01  0.237450D+00 -0.695447D+00
                56            57            58            59            60 
      1  -0.208375D+00  0.824188D+00 -0.138322D+00 -0.141827D+01 -0.386004D+01
      2  -0.147589D+00 -0.111059D+01 -0.268595D+00  0.335834D+01  0.503140D+01
      3   0.170084D+01  0.160277D+01  0.210019D+01 -0.522218D+01 -0.371675D+01
                61            62            63            64            65 
      1  -0.571932D+00 -0.769934D+00 -0.893734D+01  0.530528D+00  0.855180D-01
      2  -0.166478D+01  0.602209D+01  0.163715D+02 -0.264152D+01  0.491195D+00
      3   0.163978D+01 -0.530343D+01 -0.717928D+01 -0.334619D+01  0.262329D+01
                66            67            68            69            70 
      1   0.126195D+01  0.187448D+00  0.164253D+01 -0.465228D+01  0.423549D+00
      2  -0.136365D+01  0.655685D+00 -0.613738D+01  0.613693D+01 -0.213957D+01
      3  -0.209242D+01  0.404894D+01 -0.144513D+02  0.744994D+01 -0.217757D+01
                71            72            73            74            75 
      1  -0.137019D+01  0.397660D+01  0.369105D+00 -0.289533D+00 -0.122026D+01
      2   0.606387D+01 -0.709316D+01 -0.476630D+00  0.216335D+00  0.545949D+01
      3   0.809398D+01 -0.789854D+01  0.141768D+02 -0.556002D+01 -0.103642D+01
                76            77            78            79            80 
      1  -0.165100D+00  0.394802D+00 -0.524014D+00 -0.126696D+01  0.517904D+00
      2   0.350028D-01 -0.602054D+00 -0.242842D+00  0.250147D+01  0.993981D+00
      3  -0.309327D+01  0.250135D+01  0.100253D+01 -0.112210D+01  0.144367D+01
                81            82            83            84            85 
      1  -0.168357D+00 -0.135052D+01  0.324032D+00 -0.242802D+01  0.780041D+00
      2   0.121806D+00 -0.211875D+01  0.890075D-01 -0.143415D+01  0.212494D+01
      3  -0.524509D-01 -0.583902D+01 -0.198772D+01  0.106360D+01  0.548610D+01
                86            87            88            89            90 
      1   0.332592D+00 -0.247553D+01 -0.531557D+01  0.332308D+01  0.655759D+00
      2  -0.207267D+00 -0.116058D+01 -0.132297D+02 -0.612181D+00  0.904064D+00
      3   0.424356D+01 -0.758267D+00  0.150446D+01  0.168676D+00  0.510227D+01
                91            92            93            94            95 
      1   0.168707D+01 -0.734345D+00  0.150941D+01  0.107056D+00  0.943853D-01
      2   0.765749D-01  0.399029D+00  0.950990D+00  0.559966D+00  0.188079D+01
      3   0.373255D+01 -0.105473D+02 -0.112552D+01  0.621012D+01  0.145196D+01
                96            97            98            99           100 
      1  -0.248604D+01  0.502186D+01  0.152017D+01 -0.639473D+00 -0.681004D-01
      2  -0.491670D+01 -0.671863D+01 -0.921918D+01 -0.196851D+01  0.275556D-01
      3  -0.129815D+01  0.531970D-01 -0.129518D+01  0.471333D+01 -0.598429D+00
               101           102           103           104           105 
      1   0.781975D+00  0.514172D+00  0.359515D+00 -0.178060D+01  0.179667D+01
      2  -0.269841D-01  0.665082D+01 -0.210331D+01  0.749811D-01  0.134892D+00
      3  -0.678777D+01 -0.741921D-01  0.107533D+02 -0.304926D+01 -0.149106D+01
               106           107           108           109           110 
      1   0.117867D+01  0.112684D+02  0.963845D+00 -0.105696D+01 -0.430840D+00
      2   0.689409D+01 -0.529137D+00 -0.193187D+01  0.717996D+00  0.164572D+01
      3   0.183915D+01 -0.390681D+00 -0.540546D+00  0.411551D+00 -0.124336D+02
               111           112           113           114           115 
      1  -0.228135D+01  0.116844D+01  0.241823D+00 -0.187213D+01 -0.585189D+01
      2   0.215504D+01 -0.571452D+00 -0.170580D+01  0.471884D+01 -0.451641D+01
      3  -0.129906D+01  0.407434D+01  0.205356D+01  0.107498D+01  0.352225D+00
               116           117           118           119           120 
      1   0.291646D+01  0.169886D+01  0.651187D+00 -0.213659D+00  0.156656D+01
      2   0.929067D+01  0.154997D+01 -0.255531D+01  0.116475D+01 -0.115672D+01
      3   0.285299D+01 -0.424215D+01 -0.690776D-01 -0.290116D+01 -0.159227D+01
               121           122           123           124           125 
      1  -0.701040D+00 -0.556576D+00 -0.271170D+01  0.484197D+01  0.274601D+01
      2   0.441794D+00  0.402268D+00  0.212008D+01 -0.132475D+02  0.112224D+01
      3   0.235429D+01 -0.723202D+01  0.688574D-01 -0.249847D+01  0.713160D+00
               126           127           128           129           130 
      1  -0.169636D+01  0.192572D+00  0.266953D+00 -0.144821D+01 -0.194051D+00
      2   0.212588D+01 -0.518577D+00 -0.173429D+00  0.166532D+00 -0.159313D+00
      3  -0.518476D+01  0.885655D+01  0.456708D+01  0.268627D-01  0.826526D+01
               131           132           133           134           135 
      1  -0.320576D+00 -0.315412D+01  0.474863D+00  0.148609D+01 -0.212327D+00
      2  -0.438830D+00  0.827904D+00 -0.183930D+01 -0.466205D+00 -0.427618D-01
      3   0.695074D+01  0.483549D+00 -0.254365D+00  0.179341D+00  0.265286D-01
               136           137           138           139           140 
      1  -0.226654D+00  0.177072D+00  0.196625D+01  0.115970D+00  0.181536D+00
      2  -0.465892D+00  0.685543D+00  0.200562D+01  0.503983D+00 -0.194087D+01
      3   0.851803D+00 -0.275266D+01 -0.393543D+00 -0.195599D+01  0.131787D+02
               141           142           143           144           145 
      1  -0.407313D+01 -0.488788D+00  0.169951D+01 -0.347345D+00 -0.133176D+00
      2  -0.333351D+01 -0.323117D+00  0.190006D+00 -0.508594D+00 -0.165660D+01
      3   0.166559D+01 -0.506698D+00  0.173263D+01  0.218550D+00 -0.318149D+00
               146           147           148           149           150 
      1  -0.339910D+00  0.261565D+00 -0.173893D+00 -0.274525D-01 -0.264376D+00
      2  -0.646103D-01  0.650439D+01  0.828823D+00 -0.309968D+00 -0.366589D+00
      3  -0.513490D+01  0.166102D+00 -0.415697D+01  0.324242D+00  0.387935D+00
               151           152           153           154           155 
      1  -0.125838D+00  0.603243D+00 -0.269963D-01  0.217780D+00  0.495984D+00
      2  -0.250128D+01 -0.152386D-01 -0.573729D+00 -0.387612D+00 -0.401880D+00
      3  -0.794984D+00  0.533060D+00  0.223083D+00 -0.131193D+01 -0.426436D+01
               156           157           158           159           160 
      1  -0.212668D+01 -0.137508D+00  0.136465D+00 -0.361567D+01  0.597797D+00
      2   0.238951D+01  0.262984D+00  0.427330D+00  0.327315D+01 -0.532153D+00
      3   0.291730D-01 -0.316592D+01 -0.123805D+02 -0.502441D+00 -0.487931D+00
               161           162           163           164           165 
      1   0.119488D+01 -0.186120D+00  0.201378D+00 -0.163754D+00  0.175167D+01
      2  -0.188157D+00  0.313125D+00  0.973210D+00 -0.636941D+00  0.122089D+00
      3  -0.145750D+01 -0.434857D+00 -0.695370D+01  0.444310D+01  0.614916D+00
               166           167           168           169           170 
      1  -0.321846D+00  0.778591D+00 -0.358893D+01 -0.354180D+00  0.200699D+01
      2  -0.991477D+00  0.106683D+01 -0.495724D+00 -0.180573D+01  0.368829D+00
      3   0.662713D+01 -0.772330D+01 -0.123903D+01  0.747196D+00 -0.166624D+01
               171 
      1  -0.196274D+00
      2  -0.121872D+00
      3  -0.438058D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.180266D+02 -0.257113D+01 -0.542018D+00 -0.494279D+01 -0.218895D+01
      2  -0.751781D+01 -0.285340D+01 -0.301698D+01 -0.166696D+01  0.138069D+02
      3  -0.105088D+02  0.542452D+01  0.355900D+01  0.660976D+01 -0.116179D+02
      4  -0.165527D+02  0.205213D+02 -0.342318D+01  0.254037D+02 -0.270227D+02
      5   0.727250D+01 -0.397329D+01  0.137382D+02 -0.528647D+01  0.719861D+01
      6  -0.301092D+01  0.277468D+01 -0.535263D+01  0.459726D+01 -0.710516D+01
                 6             7             8             9            10 
      1   0.330482D+01  0.867895D+00  0.322296D+00  0.933498D+01  0.112622D+02
      2  -0.253874D+00  0.114350D+00 -0.248403D+01  0.132226D+01 -0.689628D+01
      3  -0.305094D+01 -0.982245D+00  0.216173D+01 -0.106572D+02 -0.436591D+01
      4   0.734674D+01 -0.516285D+01  0.485947D+01 -0.962475D+01  0.392695D+01
      5  -0.499831D+01  0.138621D+02 -0.705727D+01 -0.136462D+02  0.333165D+01
      6   0.964412D+01 -0.549633D+01  0.654670D+01  0.578073D+01 -0.200634D+01
                11            12            13            14            15 
      1  -0.265092D+01  0.207801D+00 -0.644531D+01 -0.773223D+01  0.104909D+01
      2  -0.365465D+00 -0.166003D+01 -0.641893D-01 -0.197756D+00  0.173677D+01
      3   0.301639D+01  0.145223D+01  0.650949D+01  0.792999D+01 -0.278586D+01
      4  -0.184340D+02  0.447575D+00 -0.283697D+02 -0.244570D+00 -0.406584D+01
      5   0.740813D+00 -0.100602D+02  0.273547D+01 -0.339938D+01  0.957368D+01
      6  -0.172770D+01  0.118619D+01 -0.189995D+01  0.180964D+01 -0.563151D+01
                16            17            18            19            20 
      1  -0.803206D+01  0.143157D+01  0.102716D+01 -0.110355D+01 -0.182677D+01
      2  -0.595629D+01  0.609076D+01  0.114094D+02 -0.452767D+00  0.110898D+01
      3   0.139884D+02 -0.752233D+01 -0.124366D+02  0.155632D+01  0.717787D+00
      4   0.297293D+01 -0.755405D+01  0.146804D+02  0.158226D+00 -0.164627D+01
      5  -0.170129D+02  0.135043D+02  0.254800D+02  0.136700D+01  0.210312D+00
      6   0.683225D+01 -0.961210D+00 -0.536852D+01 -0.352699D+00 -0.126443D+01
                21            22            23            24            25 
      1   0.548617D+01  0.430584D-01 -0.259071D+01 -0.348474D+00  0.518759D+01
      2  -0.138586D+00 -0.509899D+00  0.197508D+01 -0.238579D+01 -0.252194D+01
      3  -0.534759D+01  0.466840D+00  0.615633D+00  0.273426D+01 -0.266565D+01
      4  -0.860260D+00  0.714238D+00 -0.796742D+00  0.180145D+01 -0.412482D+01
      5  -0.350558D+01 -0.196680D-01  0.132484D+01  0.178327D+01  0.435004D+01
      6   0.307529D+01  0.423282D+00 -0.131240D+01  0.239631D+01 -0.640130D+00
                26            27            28            29            30 
      1   0.219740D+01 -0.131239D+02  0.423967D+01 -0.847630D+00 -0.434010D+01
      2  -0.127364D+01 -0.773722D+01 -0.613938D+01  0.133200D+01  0.497233D+01
      3  -0.923760D+00  0.208611D+02  0.189971D+01 -0.484366D+00 -0.632230D+00
      4   0.542538D+01 -0.189657D+01 -0.319089D+01  0.649945D+01  0.272067D+01
      5  -0.375511D+01  0.227667D+02 -0.103680D+02  0.267204D+01  0.119918D+02
      6   0.427373D+01 -0.129416D+02  0.266415D+01 -0.477887D+00 -0.143423D+01
                31            32            33            34            35 
      1   0.252038D-01 -0.223410D+01 -0.282151D+01 -0.300272D+01 -0.338488D+01
      2   0.154746D+01 -0.745518D+00 -0.967932D+00  0.952451D+01 -0.214151D+01
      3  -0.157267D+01  0.297961D+01  0.378944D+01 -0.652179D+01  0.552639D+01
      4   0.950941D+01 -0.596827D+01 -0.622961D+01  0.392307D+01 -0.691092D+01
      5   0.373086D+01 -0.564702D+01 -0.768652D+01  0.182828D+02 -0.828691D+01
      6  -0.222457D+01  0.419855D+01  0.846584D+01 -0.453167D+01  0.572925D+01
                36            37            38            39            40 
      1  -0.105486D+02 -0.528256D+02  0.108237D+01  0.649155D+01  0.143750D+02
      2  -0.159197D+02  0.330626D+02  0.473215D+01 -0.436310D+01 -0.324371D+01
      3   0.264683D+02  0.197630D+02 -0.581452D+01 -0.212846D+01 -0.111313D+02
      4  -0.948353D+01  0.263648D+01  0.172220D+02 -0.890667D-01  0.202354D+02
      5  -0.321092D+02  0.733885D+01 -0.133194D+01  0.784508D+01 -0.166352D+01
      6   0.996368D+01  0.280421D+01 -0.117079D+01  0.568688D+01 -0.704696D+00
                41            42            43            44            45 
      1   0.176603D+02 -0.514233D+01  0.746566D+01 -0.360540D+01  0.169568D+02
      2  -0.800716D+01  0.657498D+01 -0.265198D+01  0.616335D+01 -0.120529D+02
      3  -0.965315D+01 -0.143265D+01 -0.481368D+01 -0.255795D+01 -0.490390D+01
      4   0.415131D+01  0.698858D+01  0.189447D+01  0.816237D+01 -0.153055D+02
      5   0.709712D+01 -0.177074D+02  0.356606D+01 -0.179168D+02 -0.178712D+02
      6   0.793233D+01 -0.114801D+02  0.846812D+00 -0.133280D+02 -0.671627D+01
                46            47            48            49            50 
      1  -0.229106D+02 -0.370252D+00 -0.419861D+00  0.264925D+01 -0.952615D+01
      2   0.818732D+01  0.612482D+00 -0.362847D+00  0.525390D+00  0.147003D+02
      3   0.147233D+02 -0.242231D+00  0.782708D+00 -0.317464D+01 -0.517414D+01
      4  -0.730448D+01  0.503498D+01  0.194934D-01 -0.139397D+02  0.290260D+01
      5  -0.263262D+01  0.338462D-01  0.248856D+01 -0.160010D+01  0.107949D+01
      6  -0.231449D+00 -0.670205D+00 -0.154023D+01  0.154501D+01  0.211925D+01
                51            52            53            54            55 
      1  -0.198540D+00  0.339193D+01  0.288217D-01 -0.104683D+02  0.357204D+01
      2   0.244734D+01 -0.126395D+01  0.713305D+00 -0.385119D+01 -0.278676D+01
      3  -0.224880D+01 -0.212798D+01 -0.742127D+00  0.143195D+02 -0.785278D+00
      4   0.135865D+01 -0.961868D+00  0.183847D+01 -0.953487D+00  0.108459D+01
      5  -0.165810D+01  0.330738D+01 -0.110436D+01 -0.822730D-01  0.330636D+01
      6  -0.357862D+01  0.572793D+00  0.302561D+01 -0.190968D+01  0.290137D+01
                56            57            58            59            60 
      1   0.251689D+01  0.497177D+01  0.123859D+01 -0.729833D+01 -0.441428D+01
      2  -0.232571D+01 -0.171337D+01 -0.155726D-01  0.745115D+01  0.441096D+01
      3  -0.191182D+00 -0.325840D+01 -0.122302D+01 -0.152818D+00  0.332564D-02
      4  -0.106069D+01  0.220682D+01  0.277731D+01  0.853646D+01  0.599832D+01
      5   0.754839D+00  0.252702D+00  0.162792D+01  0.619955D+01  0.879847D+01
      6  -0.363851D+00 -0.166199D+01  0.874868D+00  0.621195D+01  0.105318D+02
                61            62            63            64            65 
      1   0.756954D+01 -0.392454D+01 -0.129167D+02  0.264226D+00  0.519182D+01
      2  -0.383062D+01  0.401232D+01  0.478503D-01  0.661521D+00 -0.443852D+01
      3  -0.373892D+01 -0.877750D-01  0.128689D+02 -0.925747D+00 -0.753297D+00
      4   0.756594D+01  0.101072D+02  0.995618D+01  0.822657D+00 -0.422550D+00
      5   0.659930D+01  0.115904D+02  0.295909D+02 -0.282915D+01 -0.172359D+00
      6   0.171029D+01  0.110846D+02  0.192258D+02 -0.313816D+01  0.184846D+01
                66            67            68            69            70 
      1  -0.536472D+01  0.428902D+01 -0.163046D+02  0.870958D+01 -0.621458D+01
      2   0.272864D+01 -0.185066D+01  0.224939D+02 -0.971785D+01  0.272909D+01
      3   0.263608D+01 -0.243836D+01 -0.618933D+01  0.100827D+01  0.348549D+01
      4  -0.153481D+01  0.592187D+01  0.225668D+02 -0.110279D+02 -0.612998D+01
      5  -0.972686D+00 -0.184055D+01 -0.114931D+02  0.117094D+02  0.316380D+01
      6  -0.287132D+01 -0.818218D+00 -0.136770D+02  0.125850D+02  0.502246D+00
                71            72            73            74            75 
      1   0.853504D+01 -0.122344D+02  0.868396D+02  0.759672D+00 -0.517742D+01
      2  -0.897513D+01  0.581942D+01 -0.469140D+02  0.162465D+01  0.343410D+01
      3   0.440089D+00  0.641496D+01 -0.399255D+02 -0.238432D+01  0.174332D+01
      4  -0.135427D+02  0.107711D+02  0.175913D+02  0.103842D+02 -0.106299D+01
      5   0.122104D+02 -0.128112D+02 -0.781223D+01 -0.133358D+00  0.105130D+02
      6   0.133061D+02 -0.133133D+02 -0.187980D+01 -0.306495D+00  0.235202D+01
                76            77            78            79            80 
      1  -0.118832D+02  0.628154D+01  0.114344D+01 -0.588111D+01  0.514590D+00
      2   0.851835D+01 -0.309754D+01 -0.132951D+01  0.399569D+01 -0.111126D+01
      3   0.336486D+01 -0.318401D+01  0.186078D+00  0.188542D+01  0.596671D+00
      4   0.798755D+01 -0.168935D+01 -0.154194D+01 -0.139496D+01 -0.235677D+01
      5   0.838364D+00 -0.179620D+01 -0.869629D+00  0.126443D+02  0.167637D+01
      6  -0.205026D+00 -0.692167D+00  0.166456D+01  0.208513D+01  0.240689D+01
                81            82            83            84            85 
      1   0.662996D+01  0.517158D+01 -0.162431D+02 -0.296154D+01  0.655493D+00
      2  -0.470669D+01 -0.506613D+01  0.123214D+02  0.134861D+01 -0.110061D+02
      3  -0.192328D+01 -0.105453D+00  0.392166D+01  0.161293D+01  0.103506D+02
      4   0.279331D+01 -0.108163D+02 -0.114800D+02  0.851856D+00  0.696849D+01
      5  -0.155469D+01 -0.128078D+01  0.121393D+01 -0.278911D+01  0.196009D+00
      6   0.243888D+00  0.274970D+01  0.175594D+01  0.476358D+01 -0.414377D+01
                86            87            88            89            90 
      1   0.458422D+01  0.188555D+01 -0.545636D+00  0.439607D+01 -0.141365D+02
      2  -0.908960D+01 -0.150540D+01 -0.119873D+01 -0.513358D+01  0.196431D+01
      3   0.450538D+01 -0.380151D+00  0.174437D+01  0.737503D+00  0.121722D+02
      4  -0.139640D+02 -0.134971D+01  0.379535D-01  0.196909D+01 -0.348861D+01
      5  -0.147370D+01 -0.547761D+00  0.309105D+01 -0.346850D+01  0.183653D+01
      6  -0.269302D+01  0.621996D+01  0.397354D+01  0.143842D+02 -0.102935D+01
                91            92            93            94            95 
      1   0.311268D+01  0.211052D+02  0.781221D+00 -0.229384D+02  0.104016D+02
      2  -0.426312D+01 -0.139045D+02 -0.514087D+00  0.218771D+02 -0.151943D+02
      3   0.115043D+01 -0.720074D+01 -0.267133D+00  0.106139D+01  0.479275D+01
      4   0.154823D+02 -0.578015D+01 -0.482943D+01  0.763919D+01  0.680310D+01
      5   0.269171D+01 -0.524659D+01  0.110040D+01 -0.601900D+00  0.333793D+01
      6  -0.467136D+01  0.248520D+01 -0.367382D+01  0.260393D+01 -0.609463D+01
                96            97            98            99           100 
      1   0.156923D+01 -0.115630D+01 -0.284326D+01 -0.423198D+01 -0.132013D+02
      2  -0.404749D+01  0.413445D+01 -0.283590D+01 -0.431377D+01  0.824263D+01
      3   0.247827D+01 -0.297815D+01  0.567916D+01  0.854575D+01  0.495862D+01
      4   0.338140D+01 -0.482174D+01  0.706266D+01 -0.147246D+02  0.133488D+01
      5  -0.100114D+02  0.128874D+02 -0.152172D+02 -0.430467D+01  0.762260D+01
      6   0.502551D+01 -0.674222D+01  0.142682D+02  0.224887D+01  0.445613D+00
               101           102           103           104           105 
      1   0.156640D+01  0.540013D+01 -0.267124D+01 -0.219067D+02 -0.362213D+01
      2  -0.111298D+01 -0.332166D+01  0.195991D+01  0.190964D+02  0.513441D+01
      3  -0.453424D+00 -0.207847D+01  0.711330D+00  0.281033D+01 -0.151228D+01
      4   0.215772D+02  0.556886D+00 -0.211870D+02  0.559429D+01  0.325859D+01
      5   0.571925D+00  0.143453D+02 -0.641745D+01  0.306114D+01  0.163173D+00
      6  -0.579298D+00 -0.106746D+01  0.296010D+01  0.187496D+01 -0.384742D+01
               106           107           108           109           110 
      1   0.827128D+01 -0.429649D+01  0.135584D+02  0.246172D+01 -0.226165D+02
      2  -0.322344D+01  0.371616D+01 -0.180344D+02 -0.474571D+01  0.135723D+02
      3  -0.504784D+01  0.580324D+00  0.447597D+01  0.228399D+01  0.904420D+01
      4  -0.701943D+01 -0.792154D+00 -0.760539D+00 -0.194368D+02  0.556600D+00
      5   0.343778D+02 -0.131337D+00 -0.421555D+01 -0.635576D+00  0.407962D+01
      6  -0.916343D+00  0.394011D+01 -0.195224D+01  0.283375D+01  0.240736D+01
               111           112           113           114           115 
      1  -0.302832D+01  0.233875D+02  0.755836D+01  0.548722D+00  0.477859D+01
      2   0.440256D+00 -0.229230D+02 -0.128930D+02 -0.367393D+00 -0.532319D+01
      3   0.258806D+01 -0.464446D+00  0.533460D+01 -0.181329D+00  0.544600D+00
      4   0.373494D+01  0.444651D+01 -0.138167D+02 -0.521795D+01  0.210008D+01
      5   0.475194D+01 -0.192757D+01 -0.499566D+01  0.979759D+01  0.165370D+02
      6   0.480078D+01 -0.420230D+01 -0.303658D+01  0.481418D+01  0.767705D+01
               116           117           118           119           120 
      1   0.524590D+01 -0.319015D+00  0.794545D+01  0.137088D+02 -0.180717D+00
      2  -0.592885D+01 -0.632641D+01 -0.636165D+01 -0.103332D+02  0.563596D+00
      3   0.682951D+00  0.664543D+01 -0.158380D+01 -0.337561D+01 -0.382880D+00
      4  -0.473811D+01  0.138260D+02  0.130980D+02 -0.160690D+02 -0.271731D+01
      5   0.147924D+02  0.360152D+01  0.789371D+00 -0.300875D+01 -0.378905D+01
      6   0.127565D+02 -0.208927D+01 -0.277490D+01  0.143912D+01 -0.313220D+01
               121           122           123           124           125 
      1  -0.100709D+01  0.805680D+01  0.332852D+01 -0.121697D+01  0.883581D-01
      2   0.847068D+01 -0.121696D+02 -0.413039D+01  0.303969D+01 -0.396519D+01
      3  -0.746358D+01  0.411283D+01  0.801872D+00 -0.182272D+01  0.387683D+01
      4   0.106278D+02  0.128731D+02  0.988217D+00  0.940060D+00  0.332810D+01
      5   0.145468D+01  0.811727D+00  0.173136D+01  0.652220D+00  0.468334D+01
      6   0.267828D+01 -0.582129D+01  0.488262D+01 -0.407645D+01  0.142222D+02
               126           127           128           129           130 
      1  -0.150455D+02 -0.361751D+01 -0.619621D+01 -0.106077D+00 -0.746087D+01
      2   0.119686D+01  0.638880D+01  0.917395D+01  0.219467D+00  0.112225D+02
      3   0.138486D+02 -0.277130D+01 -0.297773D+01 -0.113390D+00 -0.376158D+01
      4   0.510950D+01  0.785747D+01  0.767033D+01  0.468202D+00  0.754208D+01
      5   0.437564D+01  0.488506D+00  0.576951D+00  0.660294D+00  0.528344D+00
      6   0.447680D+01 -0.875838D-01 -0.574439D-01  0.171722D+01  0.605273D+00
               131           132           133           134           135 
      1  -0.236583D+02 -0.142239D+01 -0.765391D+00 -0.195153D+01 -0.107975D+01
      2   0.328057D+02  0.126498D+01  0.825985D+00  0.240611D+01  0.168724D+01
      3  -0.914740D+01  0.157410D+00 -0.605948D-01 -0.454587D+00 -0.607488D+00
      4   0.618640D+01  0.235242D+00  0.423741D+00 -0.243219D+00  0.148490D+01
      5   0.881638D+00  0.808685D+00  0.609340D+00  0.917944D+00 -0.412214D-01
      6   0.151110D+01  0.501846D+01  0.828434D+00  0.204193D+01  0.795014D+00
               136           137           138           139           140 
      1   0.858074D+01 -0.686240D+01 -0.928670D+00 -0.115690D+01 -0.104466D+02
      2   0.242760D+01 -0.455580D+01 -0.238063D-01 -0.108975D+02  0.325724D+02
      3  -0.110083D+02  0.114182D+02  0.952477D+00  0.120544D+02 -0.221258D+02
      4  -0.231517D+02  0.259749D+02  0.399514D+01  0.275196D+02 -0.483375D+02
      5  -0.340779D+01  0.354262D+01  0.464364D+01  0.334408D+01 -0.534990D+01
      6   0.257895D+01 -0.292019D+01 -0.305324D+01 -0.348322D+01  0.750849D+01
               141           142           143           144           145 
      1  -0.166713D+01 -0.774596D+00 -0.715994D+00 -0.107757D+01  0.100648D+03
      2   0.296876D+01 -0.108305D+01  0.340413D+01  0.233999D+01 -0.580751D+02
      3  -0.130164D+01  0.185765D+01 -0.268814D+01 -0.126243D+01 -0.425733D+02
      4  -0.627624D+01  0.515295D+01 -0.768390D+01 -0.351907D+01 -0.595938D+01
      5  -0.569683D+01  0.204683D+01 -0.260924D+01 -0.176270D+01 -0.981708D+01
      6   0.753662D+01 -0.210282D+01  0.401785D+01  0.212878D+01 -0.115387D+01
               146           147           148           149           150 
      1  -0.281223D+01 -0.693685D+01 -0.262719D+01  0.969107D+01  0.839086D+00
      2   0.134758D+01  0.490159D+01  0.113116D+01 -0.480662D+01 -0.694830D+00
      3   0.146465D+01  0.203526D+01  0.149603D+01 -0.488446D+01 -0.144256D+00
      4   0.853996D+01  0.241696D+00  0.151850D+02 -0.147021D+01 -0.127860D+01
      5   0.608150D-01  0.115086D+02  0.161934D+01 -0.115502D+01 -0.525279D+00
      6  -0.517800D+00 -0.186821D+00 -0.894590D+00 -0.756797D-01  0.143489D+01
               151           152           153           154           155 
      1  -0.868520D+01  0.932597D+00  0.455994D+01  0.157271D+02  0.108863D+02
      2   0.528015D+01 -0.618581D+00 -0.282473D+01 -0.766543D+00  0.294961D+01
      3   0.340505D+01 -0.314016D+00 -0.173521D+01 -0.149606D+02 -0.138359D+02
      4   0.192562D+01 -0.947958D+00 -0.389610D+00  0.287804D+02  0.293637D+02
      5   0.451925D+01 -0.239439D+00 -0.217373D+01  0.199442D+01  0.151845D+01
      6  -0.147929D-01  0.725251D+00  0.262676D+00  0.453929D+00  0.234143D+00
               156           157           158           159           160 
      1   0.686153D+00  0.563601D+01 -0.166840D+01  0.122369D+00 -0.545289D+00
      2  -0.237726D+00  0.879022D+01  0.236526D+02  0.397246D+00  0.993616D+00
      3  -0.448427D+00 -0.144262D+02 -0.219842D+02 -0.519616D+00 -0.448327D+00
      4   0.106823D+01  0.318690D+02  0.475215D+02  0.275196D+01  0.161962D+01
      5   0.494911D+01  0.290807D+01  0.372354D+01  0.550905D+01  0.216252D+01
      6   0.303390D+01  0.154241D+01  0.234013D+01  0.605549D+01  0.185153D+01
               161           162           163           164           165 
      1  -0.815608D+00 -0.400342D+00 -0.564000D+01  0.798293D+01  0.193308D+01
      2   0.169544D+01  0.162422D+01  0.673803D+01 -0.978720D+01 -0.124219D+01
      3  -0.879830D+00 -0.122387D+01 -0.109802D+01  0.180427D+01 -0.690886D+00
      4   0.302635D+01  0.342879D+01 -0.500865D+01  0.668286D+01  0.101736D+01
      5   0.245034D+01  0.735746D+00 -0.441013D+00  0.701953D+00  0.911479D+00
      6   0.320704D+01  0.936361D+00  0.187541D+01 -0.288882D+01 -0.264195D+01
               166           167           168           169           170 
      1   0.793228D+01 -0.287688D+02 -0.473816D+01  0.130156D+01 -0.402950D+01
      2  -0.100617D+02  0.378265D+02  0.421411D+01 -0.157013D+01  0.439155D+01
      3   0.212947D+01 -0.905777D+01  0.524048D+00  0.268577D+00 -0.362046D+00
      4   0.556442D+01 -0.247288D+01 -0.142611D+00  0.105923D+01 -0.100929D+01
      5   0.374092D+00  0.594454D+00 -0.173509D+00  0.768929D+00 -0.686785D+00
      6  -0.227538D+01  0.781338D+01  0.684584D+01 -0.100684D+01  0.348799D+01
               171 
      1  -0.220710D+01
      2   0.263310D+01
      3  -0.426000D+00
      4  -0.190398D+01
      5  -0.835733D+00
      6   0.206940D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x         -0.294882D+00     -0.749515D+00     -0.250011D+01
   y          0.452113D+00      0.114916D+01      0.383318D+01
   z          0.166018D+00      0.421975D+00      0.140756D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.120305D+03      0.178273D+02      0.198356D+02
   yx         0.144257D+01      0.213768D+00      0.237848D+00
   yy         0.100120D+03      0.148362D+02      0.165075D+02
   zx        -0.312062D+01     -0.462429D+00     -0.514521D+00
   zy         0.277415D+01      0.411086D+00      0.457395D+00
   zz         0.639037D+02      0.946955D+01      0.105363D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100045D+03      0.148251D+02      0.164951D+02
   aniso      0.512178D+02      0.758970D+01      0.844468D+01
   xx         0.126415D+03      0.187328D+02      0.208430D+02
   yx         0.135248D+01      0.200417D+00      0.222994D+00
   yy         0.105135D+03      0.155794D+02      0.173344D+02
   zx        -0.302130D+01     -0.447711D+00     -0.498146D+00
   zy         0.281182D+01      0.416669D+00      0.463606D+00
   zz         0.685835D+02      0.101630D+02      0.113079D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          2.91630733         -0.54809632         -3.75648775
     6          2.03584781          1.37546607         -2.06379319
     1          3.48471282         -1.96037188         -2.75312639
     1          1.12312838          2.74113870         -3.31901559
     6          4.25077228          2.67799289         -0.77245184
     6          0.03477746          0.32698751         -0.29086232
     1          5.21797949          1.39477620          0.52446011
     1          3.64220597          4.33616565          0.29163633
     1          5.59685222          3.28687707         -2.20588407
     6          0.02233634          0.79733187          2.29921841
     6         -1.86192073         -0.20086528          3.83961783
     6         -3.76341492         -1.68288336          2.80933192
     6         -3.77180702         -2.16364185          0.22373567
     6         -1.89302783         -1.16613933         -1.30662714
     1          1.48516440          1.94665457          3.14284151
     1         -1.83517165          0.18321237          5.84889601
     1         -5.22840408         -2.45955908          4.00686284
     1         -5.24927065         -3.31489933         -0.59936625
     1         -1.88903025         -1.55472256         -3.31441121

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.564733D+00      0.143541D+01      0.478801D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.101919D+03      0.151029D+02      0.168043D+02
   yx         0.224706D+02      0.332980D+01      0.370490D+01
   yy         0.788575D+02      0.116855D+02      0.130018D+02
   zx        -0.116601D+02     -0.172784D+01     -0.192248D+01
   zy         0.214415D+01      0.317730D+00      0.353522D+00
   zz         0.103551D+03      0.153447D+02      0.170733D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100045D+03      0.148251D+02      0.164951D+02
   aniso      0.512178D+02      0.758970D+01      0.844468D+01
   xx         0.107574D+03      0.159409D+02      0.177366D+02
   yx         0.227990D+02      0.337846D+01      0.375904D+01
   yy         0.836608D+02      0.123973D+02      0.137938D+02
   zx        -0.121895D+02     -0.180629D+01     -0.200977D+01
   zy         0.207106D+01      0.306900D+00      0.341472D+00
   zz         0.108898D+03      0.161371D+02      0.179549D+02

 ----------------------------------------------------------------------
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  ON THE CHOICE OF THE CORRECT LANGUAGE -
 I SPEAK SPANISH TO GOD, ITALIAN TO WOMEN,
 FRENCH TO MEN, AND GERMAN TO MY HORSE.
          -- CHARLES V
 Job cpu time:       0 days  2 hours 19 minutes  4.3 seconds.
 Elapsed time:       0 days  0 hours 17 minutes 26.7 seconds.
 File lengths (MBytes):  RWF=    227 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:01:26 2021.
